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streams</a> <li class=md-nav__item > <a href=PIXEL_MASK.html class=md-nav__link >Pixel mask</a> <li class=md-nav__item > <a href=WEB_FRONTEND.html class=md-nav__link >Web frontend</a> <li class=md-nav__item > <a href=TESTS.html class=md-nav__link >Tests</a> <li class=md-nav__item > <span class="md-nav__link caption"><span class=caption-text >Project</span></span> <li class=md-nav__item > <a href=ACKNOWLEDGEMENT.html class=md-nav__link >Acknowledgements</a> <li class=md-nav__item > <input class="md-toggle md-nav__toggle" data-md-toggle=toc type=checkbox id=__toc > <label class="md-nav__link md-nav__link--active" for=__toc > External test data </label> <a href="#" class="md-nav__link md-nav__link--active">External test data</a> <nav class="md-nav md-nav--secondary"> <ul class=md-nav__list data-md-scrollfix=""> </ul> </nav> <ul class=md-nav__list > <li class=md-nav__item > <a href="#where-the-values-come-from" class=md-nav__link >Where the values come from</a> <li class=md-nav__item > <a href="#datasets" class=md-nav__link >Datasets</a> <li class=md-nav__item > <a href="#archives-that-are-not-a-single-sweep" class=md-nav__link >Archives that are not a single sweep</a> <li class=md-nav__item > <a href="#datasets-published-as-raw-data-letters" class=md-nav__link >Datasets published as Raw Data Letters</a> <li class=md-nav__item > <a href="#detector-column-for-marccd-and-smv-files" class=md-nav__link >Detector column for marCCD and SMV files</a> <li class=md-nav__item > <a href="#deposited-models-and-structure-factors" class=md-nav__link >Deposited models and structure factors</a> <li class=md-nav__item > <a href="#rows-where-our-reduction-and-the-deposition-disagree" class=md-nav__link >Rows where our reduction and the deposition disagree</a> <li class=md-nav__item > <a href="#dataset-directories-whose-name-is-not-the-pdb-code" class=md-nav__link >Dataset directories whose name is not the PDB code</a> <li class=md-nav__item > <a href="#an-archive-that-ships-placeholder-images" class=md-nav__link >An archive that ships placeholder images</a> <li class=md-nav__item > <a href="#datasets-with-no-pdb-entry" class=md-nav__link >Datasets with no PDB entry</a> <li class=md-nav__item > <a href="#the-collection-in-numbers" class=md-nav__link >The collection in numbers</a> <li class=md-nav__item > <a href="#licences" class=md-nav__link >Licences</a> </ul> <li class=md-nav__item > <a href=LICENSE.html class=md-nav__link >License</a> <li class=md-nav__item > <a href=THIRD_PARTY_NOTICES.html class=md-nav__link >Third-party software notices</a> <li class=md-nav__item > <a href=VERSIONING.html class=md-nav__link >Semantic versioning</a> <li class=md-nav__item > <a href=SECURITY.html class=md-nav__link >Security</a> <li class=md-nav__item > <a href=RELEASE_CONTENTS.html class=md-nav__link >Release contents</a> <li class=md-nav__item > <a href=REPOSITORIES.html class=md-nav__link >Linux package repositories</a> <li class=md-nav__item > <a href=NAMING.html class=md-nav__link >Naming</a> <li class=md-nav__item > <a href=CHANGELOG.html class=md-nav__link >Changelog</a> </ul> </nav> </div> </div> </div> <div class="md-sidebar md-sidebar--secondary" data-md-component=toc > <div class=md-sidebar__scrollwrap > <div class=md-sidebar__inner > <nav class="md-nav md-nav--secondary"> <ul class=md-nav__list data-md-scrollfix=""> </ul> </nav> </div> </div> </div> <div class=md-content > <article class="md-content__inner md-typeset" role=main > <section class="tex2jax_ignore mathjax_ignore" id=external-test-data > <h1 id=external-test-data--page-root >External test data<a class=headerlink href="#external-test-data--page-root" title="Link to this heading">¶</a></h1> <p>Jungfraujoch is developed at the Swiss Light Source, but a data-reduction pipeline that only ever sees its own detectors is not tested. The datasets below were collected by other people, on detectors and in file formats we do not produce ourselves, and are used here to check that <code class="docutils literal notranslate"><span class=pre >rugnux</span></code> reads foreign files correctly and reduces them to sensible results. Most were collected at other facilities, ten on laboratory X-ray sources; a few come from SLS beamlines, where the data are still written by someone else’s detector and someone else’s acquisition system. Their authors published all of these for exactly this kind of reuse, and this page is where we credit them.</p> <p><strong>None of these data were collected by us.</strong> If you use any of them, cite the dataset DOI in the table below; the repositories themselves are cited in <a class="reference internal" href=ACKNOWLEDGEMENT.html ><span class="std std-doc">ACKNOWLEDGEMENT</span></a>.</p> <section id=where-the-values-come-from > <h2 id=where-the-values-come-from >Where the values come from<a class=headerlink href="#where-the-values-come-from" title="Link to this heading">¶</a></h2> <ul class=simple > <li><p><strong>Source</strong> is the repository we downloaded from and that repository’s own citable DOI for the archive we took. Every DOI on this page was resolved against DataCite - or, for 6NEN, whose DOI is registered with Crossref, against Crossref - before it was written down, and the identity of each dataset was taken from the repository’s record for the archive - not from our directory names.</p> <li><p><strong>Beamline, resolution, space group and cell are the values deposited with the PDB entry</strong>, read from the RCSB data API. They describe the published experiment. They are <em>not</em> our reprocessing results; no quantity measured by Jungfraujoch appears on this page.</p> <li><p><strong>Detector is read out of the image files themselves</strong> - the NXmx <code class="docutils literal notranslate"><span class=pre >/entry/instrument/detector/description</span></code>, the miniCBF <code class="docutils literal notranslate"><span class=pre >#</span> <span class=pre >Detector:</span></code> header, the marCCD instrument header or the SMV key block - which is authoritative where the PDB entry names a different detector.</p> <li><p>Anything that could not be established from one of those sources is left blank.</p> </ul> </section> <section id=datasets > <h2 id=datasets >Datasets<a class=headerlink href="#datasets" title="Link to this heading">¶</a></h2> <table> <thead> <tr class=row-odd ><th class=head ><p>PDB</p> <th class=head ><p>Source</p> <th class=head ><p>Facility / beamline</p> <th class=head ><p>d<sub>min</sub> (Å)</p> <th class=head ><p>Space group</p> <th class=head ><p>Unit cell a b c α β γ (Å, °)</p> <th class=head ><p>Detector (from file)</p> <th class=head ><p>Title</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/11IF">11IF</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M311IF">10.18430/M311IF</a></p> <td><p>NSLS-II 19-ID</p> <td><p>1.51</p> <td><p>P 43</p> <td><p>51.1 51.1 71.9 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of an exported phospholipid binding protein from Bordetella pertussis in complex with Di-palmitoyl-3-sn-phosphatidylethanolamine (DPPE), P43 form 2</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/36GK">36GK</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M336GK">10.18430/M336GK</a></p> <td><p>CLSI 08ID-1</p> <td><p>2.28</p> <td><p>I 2 2 2</p> <td><p>120.6 189.5 199.7 90.0 90.0 90.0</p> <td><p>Dectris Eiger 9M</p> <td><p>D-GlcNAc-bound structure of Vibrio vulnificus putative carbohydrate binding module and split domain</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/3INP">3INP</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m33inp">10.18430/m33inp</a></p> <td><p>APS 21-ID-F</p> <td><p>2.05</p> <td><p>F 41 3 2</p> <td><p>224.1 224.1 224.1 90.0 90.0 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>2.05 Angstrom Resolution Crystal Structure of D-ribulose-phosphate 3-epimerase from Francisella tularensis.</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/3KY7">3KY7</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m33ky7">10.18430/m33ky7</a></p> <td><p>APS 21-ID-G</p> <td><p>2.35</p> <td><p>P 43 3 2</p> <td><p>125.2 125.2 125.2 90.0 90.0 90.0</p> <td><p>marCCD, 300 mm plate</p> <td><p>2.35 Angstrom resolution crystal structure of a putative tRNA (guanine-7-)-methyltransferase (trmD) from Staphylococcus aureus subsp. aureus MRSA252</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/3MC4">3MC4</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M33MC4">10.18430/M33MC4</a></p> <td><p>Home source, Rigaku MicroMax-007 HF</p> <td><p>1.95</p> <td><p>H 3</p> <td><p>104.0 104.0 105.5 90.0 90.0 120.0</p> <td><p>Rigaku Saturn 944+</p> <td><p>Crystal structure of WW/RSP5/WWP domain: bacterial transferase hexapeptide repeat: serine O-Acetyltransferase from Brucella Melitensis</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/3MEB">3MEB</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M33MEB">10.18430/M33MEB</a></p> <td><p>Home source, Rigaku MicroMax-007 HF</p> <td><p>1.90</p> <td><p>P 1 21 1</p> <td><p>58.6 101.2 81.5 90.0 90.6 90.0</p> <td><p>Rigaku Saturn 944</p> <td><p>Structure of cytoplasmic aspartate aminotransferase from giardia lamblia</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/3P85">3P85</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M33P85">10.18430/M33P85</a></p> <td><p>Home source, Rigaku FR-E+ SuperBright</p> <td><p>1.90</p> <td><p>P 63 2 2</p> <td><p>127.3 127.3 72.9 90.0 90.0 120.0</p> <td><p>Rigaku Saturn 944+</p> <td><p>Crystal structure enoyl-coa hydratase from mycobacterium avium</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/3R6O">3R6O</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M33R6O">10.18430/M33R6O</a></p> <td><p>Home source, Rigaku FR-E+ SuperBright</p> <td><p>1.95</p> <td><p>I 41</p> <td><p>90.7 90.7 76.1 90.0 90.0 90.0</p> <td><p>Rigaku Saturn 944+</p> <td><p>Crystal structure of a probable 2-hydroxyhepta-2,4-diene-1, 7-dioateisomerase from Mycobacterium abscessus</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5CC8">5CC8</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M35CC8">10.18430/M35CC8</a></p> <td><p>Home source, Rigaku MicroMax-007 HF</p> <td><p>1.75</p> <td><p>P 21 21 2</p> <td><p>87.1 93.8 72.5 90.0 90.0 90.0</p> <td><p>Rigaku Saturn 944+</p> <td><p>Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with AMPPNP</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5EBI">5EBI</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/9887707">10.18150/9887707</a></p> <td><p>BESSY 14.2</p> <td><p>1.09</p> <td><p>P 1 21 1</p> <td><p>35.7 44.1 35.7 90.0 120.0 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Crystal structure of a DNA-RNA chimera in complex with Ba2+ ions: a case of unusual multi-domain twinning</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5EPE">5EPE</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m3159c">10.18430/m3159c</a></p> <td><p>APS 21-ID-G</p> <td><p>1.90</p> <td><p>F 2 3</p> <td><p>157.5 157.5 157.5 90.0 90.0 90.0</p> <td><p>Rayonix MX-300</p> <td><p>Crystal structure of SAM-dependent methyltransferase from Thiobacillus denitrificans in complex with S-Adenosyl-L-homocysteine</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5F6M">5F6M</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/201">10.15785/sbgrid/201</a></p> <td><p>SSRL BL11-1</p> <td><p>1.10</p> <td><p>P 21 21 21</p> <td><p>54.8 58.5 67.4 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>Isotropic Trypsin Model for Comparison of Diffuse Scattering</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5J23">5J23</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M35J23">10.18430/M35J23</a></p> <td><p>APS 21-ID-G</p> <td><p>2.30</p> <td><p>H 3</p> <td><p>175.8 175.8 136.8 90.0 90.0 120.0</p> <td><p>Rayonix MX-300</p> <td><p>Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with 2’-phospho-ADP-ribose</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5JK4">5JK4</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.49859">10.5281/zenodo.49859</a></p> <td><p>ESRF ID14-2</p> <td><p>1.10</p> <td><p>P 1 21 1</p> <td><p>37.7 77.9 56.3 90.0 102.1 90.0</p> <td><p>ADSC Quantum 4</p> <td><p>Phosphate-Binding Protein from Stenotrophomonas maltophilia.</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5JVN">5JVN</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m35jvn">10.18430/m35jvn</a></p> <td><p>ESRF ID29</p> <td><p>2.90</p> <td><p>P 6 2 2</p> <td><p>249.4 249.4 84.1 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>C3-type pyruvate phosphate dikinase: intermediate state of the swiveling-domain mechanism</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5KY6">5KY6</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/repod.1494374">10.18150/repod.1494374</a></p> <td><p>BESSY 14.2</p> <td><p>1.94</p> <td><p>P 1 21 1</p> <td><p>84.5 57.3 164.0 90.0 102.6 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Human muscle fructose-1,6-bisphosphate aldolase</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5LZL">5LZL</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.54757">10.5281/zenodo.54757</a></p> <td><p>Diamond I02</p> <td><p>3.47</p> <td><p>P 31 2 1</p> <td><p>205.6 205.6 199.2 90.0 90.0 120.0</p> <td><p>PILATUS 6M-F</p> <td><p>Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5M17">5M17</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.4300323">10.5281/zenodo.4300323</a></p> <td><p>Diamond I02</p> <td><p>1.03</p> <td><p>I 4</p> <td><p>108.6 108.6 67.7 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5MLN">5MLN</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m35mln">10.18430/m35mln</a></p> <td><p>ESRF ID23-2</p> <td><p>1.60</p> <td><p>P 21 2 21</p> <td><p>74.2 80.4 80.5 90.0 90.0 90.0</p> <td><p>PILATUS3 2M</p> <td><p>The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5NW5">5NW5</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/446">10.15785/sbgrid/446</a></p> <td><p>SLS X06DA</p> <td><p>6.50</p> <td><p>P 21 21 21</p> <td><p>92.1 169.8 390.2 90.0 90.0 90.0</p> <td><p>PILATUS 2MF</p> <td><p>Crystal structure of the Rif1 N-terminal domain (RIF1-NTD) from Saccharomyces cerevisiae in complex with DNA</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5REO">5REO</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.3730956">10.5281/zenodo.3730956</a></p> <td><p>Diamond I04-1</p> <td><p>1.88</p> <td><p>C 1 2 1</p> <td><p>112.4 52.6 44.4 90.0 103.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>PanDDA analysis group deposition – Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5SRC">5SRC</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M35SRC">10.18430/M35SRC</a></p> <td><p>ALS 8.3.1</p> <td><p>1.05</p> <td><p>P 43</p> <td><p>88.7 88.7 39.2 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>PanDDA analysis group deposition – Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562500 - (R,R) and (R,S) isomers</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5T39">5T39</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/356">10.15785/sbgrid/356</a></p> <td><p>APS 21-ID-F</p> <td><p>1.10</p> <td><p>P 1 21 1</p> <td><p>50.2 41.3 58.5 90.0 98.6 90.0</p> <td><p>Rayonix MX-300</p> <td><p>Crystal Structure of the N-terminal domain of EvdMO1 in the presence of SAH and D-fucose</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5UTH">5UTH</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M35UTH">10.18430/M35UTH</a></p> <td><p>Home source, Rigaku FR-E+ SuperBright</p> <td><p>1.95</p> <td><p>P 31 2 1</p> <td><p>69.3 69.3 153.8 90.0 90.0 120.0</p> <td><p>Rigaku Saturn 944+</p> <td><p>Crystal structure of thioredoxin reductase from Mycobacterium smegmatis in complex with FAD</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/5VML">5VML</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M35VML">10.18430/M35VML</a></p> <td><p>Home source, Rigaku FR-E+ SuperBright</p> <td><p>1.70</p> <td><p>P 42 21 2</p> <td><p>66.3 66.3 115.3 90.0 90.0 90.0</p> <td><p>Rigaku Saturn 944+</p> <td><p>Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b with bound NADP</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6CDL">6CDL</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36cdl">10.18430/m36cdl</a></p> <td><p>APS 22-ID</p> <td><p>1.25</p> <td><p>P 21 21 2</p> <td><p>58.3 85.9 46.1 90.0 90.0 90.0</p> <td><p>marCCD, 300 mm plate</p> <td><p>HIV-1 wild type protease with GRL-03214A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2’-ligand and 3,5-difluorophenylmethyl as the P1-ligand</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6CEE">6CEE</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M36CEE">10.18430/M36CEE</a></p> <td><p>Home source, Rigaku FR-E SuperBright</p> <td><p>1.55</p> <td><p>P 21 21 21</p> <td><p>40.7 44.1 55.9 90.0 90.0 90.0</p> <td><p>Rigaku Saturn A200</p> <td><p>Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6CS9">6CS9</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/SBGRID/568">10.15785/SBGRID/568</a></p> <td><p>Australian Synchrotron MX2</p> <td><p>1.85</p> <td><p>P 1 21 1</p> <td><p>32.9 25.5 40.2 90.0 98.6 90.0</p> <td><p>ADSC Quantum 210r</p> <td><p>Crystal structure of human beta-defensin 2 in complex with PIP2</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6F3P">6F3P</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M36F3P">10.18430/M36F3P</a></p> <td><p>APS 22-ID</p> <td><p>1.35</p> <td><p>C 1 2 1</p> <td><p>142.9 85.7 112.0 90.0 122.2 90.0</p> <td><p>marCCD, 300 mm plate</p> <td><p>Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa in complex with 3’-deoxyadenosine and K+ cation</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6FID">6FID</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/541">10.15785/sbgrid/541</a></p> <td><p>ESRF ID30B</p> <td><p>2.20</p> <td><p>P 21 21 21</p> <td><p>59.9 64.1 69.7 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Bovine trypsin solved by S-SAD on ID30B</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6FVZ">6FVZ</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36fvz">10.18430/m36fvz</a></p> <td><p>ESRF ID23-2</p> <td><p>1.80</p> <td><p>C 2 2 2</p> <td><p>131.2 222.8 86.5 90.0 90.0 90.0</p> <td><p>PILATUS3 X 2M</p> <td><p>Crystal structure of human monoamine oxidase B (MAO B) in complex with an inhibitor</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6FWC">6FWC</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36fwc">10.18430/m36fwc</a></p> <td><p>ESRF MASSIF-3</p> <td><p>1.70</p> <td><p>C 2 2 2</p> <td><p>131.7 222.1 86.3 90.0 90.0 90.0</p> <td><p>PILATUS 2MF</p> <td><p>Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6G1F">6G1F</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.1059413">10.5281/zenodo.1059413</a></p> <td><p>Diamond I03</p> <td><p>2.25</p> <td><p>C 1 2 1</p> <td><p>329.3 83.9 133.4 90.0 111.6 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of D-phenylglycine aninotransferase (D-PhgAT) from Pseudomonas stutzeri with PLP internal aldimine</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6GVK">6GVK</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.1286854">10.5281/zenodo.1286854</a></p> <td><p>ALBA XALOC</p> <td><p>1.55</p> <td><p>C 1 2 1</p> <td><p>105.6 59.5 42.4 90.0 113.5 90.0</p> <td><p>PILATUS 6M</p> <td><p>Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6H2P">6H2P</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36h2p">10.18430/m36h2p</a></p> <td><p>BESSY 14.1</p> <td><p>1.48</p> <td><p>C 2 2 21</p> <td><p>103.5 107.1 216.5 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate ligand</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6H5T">6H5T</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36h5t">10.18430/m36h5t</a></p> <td><p>BESSY 14.3</p> <td><p>1.69</p> <td><p>I 4 2 2</p> <td><p>86.8 86.8 141.8 90.0 90.0 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Intersectin SH3A short isoform</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6HV2">6HV2</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36hv2">10.18430/m36hv2</a></p> <td><p>SLS X06SA</p> <td><p>1.71</p> <td><p>P 61 2 2</p> <td><p>68.9 68.9 133.6 90.0 90.0 120.0</p> <td><p>Dectris Eiger 16M</p> <td><p>MMP-13 in complex with the peptide IMISF</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6HWJ">6HWJ</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/614">10.15785/sbgrid/614</a></p> <td><p>ALBA XALOC</p> <td><p>1.98</p> <td><p>P 1 21 1</p> <td><p>59.8 96.1 80.3 90.0 106.7 90.0</p> <td><p>PILATUS 6M</p> <td><p>Glucosamine kinase (crystal form A)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6I3J">6I3J</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36i3j">10.18430/m36i3j</a></p> <td><p>BESSY 14.1</p> <td><p>2.59</p> <td><p>F 2 2 2</p> <td><p>134.4 203.8 226.7 90.0 90.0 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Bilirubin oxidase from Myrothecium verrucaria in complex with ferricyanide</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6IU5">6IU5</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.2532134">10.5281/zenodo.2532134</a></p> <td><p>SPring-8 BL41XU</p> <td><p>2.25</p> <td><p>P 31</p> <td><p>84.9 84.9 98.2 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of cytoplasmic metal binding domain with zinc ions</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6IU6">6IU6</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.2532134">10.5281/zenodo.2532134</a></p> <td><p>SPring-8 BL41XU</p> <td><p>2.90</p> <td><p>P 31</p> <td><p>84.7 84.7 97.4 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of cytoplasmic metal binding domain with nickel ions</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6IU8">6IU8</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.2532134">10.5281/zenodo.2532134</a></p> <td><p>SPring-8 BL41XU</p> <td><p>2.70</p> <td><p>P 31</p> <td><p>85.5 85.5 98.4 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of cytoplasmic metal binding domain with cobalt</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6IU9">6IU9</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.2532134">10.5281/zenodo.2532134</a></p> <td><p>SPring-8 BL41XU</p> <td><p>3.00</p> <td><p>P 31</p> <td><p>85.3 85.3 97.6 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of cytoplasmic metal binding domain with iron ions</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6JGH">6JGH</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36jgh">10.18430/m36jgh</a></p> <td><p>SPring-8 BL44XU</p> <td><p>0.94</p> <td><p>P 21 21 21</p> <td><p>50.6 62.5 68.2 90.0 90.0 90.0</p> <td><p>marCCD, 300 mm plate</p> <td><p>Crystal structure of the F99S/M153T/V163A/T203I variant of GFP at 0.94 A</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6JGI">6JGI</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36jgi">10.18430/m36jgi</a></p> <td><p>SPring-8 BL44XU</p> <td><p>0.85</p> <td><p>P 21 21 21</p> <td><p>50.9 62.4 69.2 90.0 90.0 90.0</p> <td><p>marCCD, 300 mm plate</p> <td><p>Crystal structure of the S65T/F99S/M153T/V163A variant of GFP at 0.85 A</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6JGJ">6JGJ</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36jgj">10.18430/m36jgj</a></p> <td><p>SPring-8 BL41XU</p> <td><p>0.77</p> <td><p>P 21 21 21</p> <td><p>50.9 62.3 68.8 90.0 90.0 90.0</p> <td><p>PILATUS3 300K</p> <td><p>Crystal structure of the F99S/M153T/V163A/E222Q variant of GFP at 0.78 A</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6MOJ">6MOJ</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/620">10.15785/sbgrid/620</a></p> <td><p>ALS 5.0.1</p> <td><p>2.43</p> <td><p>I 41 2 2</p> <td><p>130.4 130.4 293.5 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Dimeric DARPin A_angle_R5 complex with EpoR</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6NEN">6NEN</a></p> <td><p>UQ eSpace <a class="reference external" href="https://doi.org/10.14264/uql.2018.843">10.14264/uql.2018.843</a></p> <td><p>Australian Synchrotron MX2</p> <td><p>2.15</p> <td><p>P 3 1 2</p> <td><p>105.5 105.5 35.1 90.0 90.0 120.0</p> <td><p>SMV, S/N 928</p> <td><p>Catalytic domain of Proteus mirabilis ScsC</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6O2H">6O2H</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/747">10.15785/sbgrid/747</a></p> <td><p>CHESS F1</p> <td><p>1.21</p> <td><p>P 1</p> <td><p>27.4 32.1 34.5 88.7 108.5 111.9</p> <td><p>PILATUS3 6M</p> <td><p>Hen lysozyme in triclinic space group at ambient temperature - diffuse scattering dataset</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6OEL">6OEL</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/652">10.15785/sbgrid/652</a></p> <td><p>ALS 8.2.1</p> <td><p>3.10</p> <td><p>F 41 3 2</p> <td><p>328.1 328.1 328.1 90.0 90.0 90.0</p> <td><p>SMV, S/N 905</p> <td><p>Engineered Fab bound to IL-4 receptor</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6P8P">6P8P</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/673">10.15785/sbgrid/673</a></p> <td><p>APS 24-ID-C</p> <td><p>1.64</p> <td><p>P 4</p> <td><p>97.5 97.5 60.1 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Structure of P. aeruginosa ATCC27853 HORMA1</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6PB3">6PB3</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/681">10.15785/sbgrid/681</a></p> <td><p>APS 24-ID-E</p> <td><p>2.05</p> <td><p>P 6</p> <td><p>100.4 100.4 48.9 90.0 90.0 120.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Structure of Rhizobiales Trip13</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6PXB">6PXB</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/698">10.15785/sbgrid/698</a></p> <td><p>APS 24-ID-E</p> <td><p>1.75</p> <td><p>P 32</p> <td><p>64.0 64.0 119.4 90.0 90.0 120.0</p> <td><p>PILATUS 6M-F</p> <td><p>N-Terminal SH2 domain of the p120RasGAP</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6PXC">6PXC</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/699">10.15785/sbgrid/699</a></p> <td><p>APS 24-ID-E</p> <td><p>1.60</p> <td><p>I 2 2 2</p> <td><p>44.2 64.8 87.2 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>N-Terminal SH2 domain of the p120RasGAP bound to a p190RhoGAP phosphotyrosine peptide</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6QAJ">6QAJ</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/637">10.15785/sbgrid/637</a></p> <td><p>Diamond I03</p> <td><p>2.90</p> <td><p>C 2 2 21</p> <td><p>59.8 169.3 374.5 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Structure of the tripartite motif of KAP1/TRIM28</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6R72">6R72</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.14894181">10.5281/zenodo.14894181</a></p> <td><p>SOLEIL PROXIMA 2</p> <td><p>3.95</p> <td><p>P 1 21 1</p> <td><p>117.8 110.8 155.6 90.0 93.2 90.0</p> <td><p>Dectris Eiger 9M</p> <td><p>Crystal structure of BmrA-E504A in an outward-facing conformation</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6RLR">6RLR</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.5886687">10.5281/zenodo.5886687</a></p> <td><p>Diamond I04</p> <td><p>2.00</p> <td><p>P 1</p> <td><p>40.0 40.0 63.6 80.4 76.3 68.2</p> <td><p>Eiger 16M</p> <td><p>Crystal structure of CD9 large extracellular loop</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6RYM">6RYM</a></p> <td><p>Keele University <a class="reference external" href="https://doi.org/10.21252/xbsq-d621">10.21252/xbsq-d621</a></p> <td><p>SRS PX10.1 (Daresbury)</p> <td><p>1.46</p> <td><p>P 43</p> <td><p>50.2 50.2 51.9 90.0 90.0 90.0</p> <td><p>marCCD 165 mm</p> <td><p>Structure of carbohydrate recognition domain with GlcNAc bound</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6S1U">6S1U</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/repod.0005795">10.18150/repod.0005795</a></p> <td><p>BESSY 14.2</p> <td><p>1.90</p> <td><p>P 1 21 1</p> <td><p>51.6 29.4 85.5 90.0 103.8 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6TOC">6TOC</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.3571040">10.5281/zenodo.3571040</a></p> <td><p>SLS X06DA</p> <td><p>1.85</p> <td><p>P 42</p> <td><p>31.5 31.5 81.6 90.0 90.0 90.0</p> <td><p>PILATUS 2MF</p> <td><p>Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 3).</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6TTN">6TTN</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36ttn">10.18430/m36ttn</a></p> <td><p>BESSY 14.1</p> <td><p>1.12</p> <td><p>P 21 21 21</p> <td><p>39.9 79.8 104.7 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6U7G">6U7G</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36u7g">10.18430/m36u7g</a></p> <td><p>APS 23-ID-B</p> <td><p>2.35</p> <td><p>P 1 21 1</p> <td><p>99.6 98.7 147.5 90.0 104.6 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>HCoV-229E RBD Class V in complex with human APN</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6UKF">6UKF</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36ukf">10.18430/m36ukf</a></p> <td><p>APS 22-ID</p> <td><p>1.00</p> <td><p>P 1 21 1</p> <td><p>61.0 37.3 69.0 90.0 109.8 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>HhaI endonuclease in Complex with DNA at 1 Angstrom Resolution</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6V2R">6V2R</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36v2r">10.18430/m36v2r</a></p> <td><p>Home source, Rigaku FR-E</p> <td><p>1.60</p> <td><p>P 41 21 2</p> <td><p>40.2 40.2 83.1 90.0 90.0 90.0</p> <td><p>Rigaku Saturn A200</p> <td><p>Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6VWW">6VWW</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36vww">10.18430/m36vww</a></p> <td><p>APS 19-ID</p> <td><p>2.20</p> <td><p>P 63</p> <td><p>150.5 150.5 111.3 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2.</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6W4H">6W4H</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36w4h">10.18430/m36w4h</a></p> <td><p>APS 21-ID-F</p> <td><p>1.80</p> <td><p>P 31 2 1</p> <td><p>167.7 167.7 51.9 90.0 90.0 120.0</p> <td><p>Rayonix MX-300</p> <td><p>1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6W75">6W75</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36w75">10.18430/m36w75</a></p> <td><p>APS 21-ID-F</p> <td><p>1.95</p> <td><p>P 32 2 1</p> <td><p>166.2 166.2 98.3 90.0 90.0 120.0</p> <td><p>Rayonix MX-300</p> <td><p>1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6WZO">6WZO</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/785">10.15785/sbgrid/785</a></p> <td><p>APS 24-ID-E</p> <td><p>1.42</p> <td><p>P 1</p> <td><p>43.7 50.1 69.3 106.5 90.1 97.1</p> <td><p>Dectris Eiger 16M</p> <td><p>Structure of SARS-CoV-2 Nucleocapsid dimerization domain, P1 form</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6YQF">6YQF</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m36yqf">10.18430/m36yqf</a></p> <td><p>Diamond I24</p> <td><p>3.33</p> <td><p>P 21 21 2</p> <td><p>42.7 59.7 156.5 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of the SYCE2-TEX12 delta-Ctip complex in a 4:4 assembly</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6Z8O">6Z8O</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.3873216">10.5281/zenodo.3873216</a></p> <td><p>ESRF ID30B</p> <td><p>2.20</p> <td><p>P 1 21 1</p> <td><p>63.7 97.0 121.3 90.0 104.7 90.0</p> <td><p>Dectris Eiger 4M</p> <td><p>Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Krypton gas - structure G491A-Kr</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6Z9G">6Z9G</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.3874714">10.5281/zenodo.3874714</a></p> <td><p>ESRF ID30B</p> <td><p>1.76</p> <td><p>P 1 21 1</p> <td><p>120.3 93.8 127.0 90.0 105.2 90.0</p> <td><p>Dectris Eiger 4M</p> <td><p>Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6ZE4">6ZE4</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/806">10.15785/sbgrid/806</a></p> <td><p>BESSY 14.1</p> <td><p>1.60</p> <td><p>P 21 21 21</p> <td><p>93.6 109.9 116.1 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6ZQR">6ZQR</a></p> <td><p>Keele University <a class="reference external" href="https://doi.org/10.21252/r2nx-0425">10.21252/r2nx-0425</a></p> <td><p>Diamond I02</p> <td><p>1.93</p> <td><p>P 4</p> <td><p>113.6 113.6 44.1 90.0 90.0 90.0</p> <td><p>SMV, S/N 922</p> <td><p>Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with GlcNAc ligand bound</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6ZQY">6ZQY</a></p> <td><p>Keele University <a class="reference external" href="https://doi.org/10.21252/hx7e-rd04">10.21252/hx7e-rd04</a></p> <td><p>Diamond I04</p> <td><p>1.85</p> <td><p>P 4</p> <td><p>119.3 119.3 44.2 90.0 90.0 90.0</p> <td><p>SMV, S/N 921</p> <td><p>Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with Neu5Ac ligand bound</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/6ZR0">6ZR0</a></p> <td><p>Keele University <a class="reference external" href="https://doi.org/10.21252/zcfy-cw20">10.21252/zcfy-cw20</a></p> <td><p>Diamond I04</p> <td><p>1.94</p> <td><p>P 4</p> <td><p>119.2 119.2 44.2 90.0 90.0 90.0</p> <td><p>PILATUS 6M Prosport+</p> <td><p>Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with N-acetylalanine ligand bound</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7ARR">7ARR</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/EM87YL">10.18150/EM87YL</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>1.10</p> <td><p>P 1</p> <td><p>30.9 32.1 43.1 114.2 91.9 109.9</p> <td><p>PILATUS 6M-F</p> <td><p>The de novo designed hybrid alpha/beta-miniprotein</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7ATG">7ATG</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37atg">10.18430/m37atg</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>0.60</p> <td><p>P 21 21 21</p> <td><p>18.0 31.0 43.9 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Crystal structure of Z-DNA in complex with putrescinium and potassium cations at ultrahigh-resolution</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7BGT">7BGT</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/1HQGWO">10.18150/1HQGWO</a></p> <td><p>BESSY 14.2</p> <td><p>1.93</p> <td><p>P 1</p> <td><p>29.3 67.6 69.7 76.8 83.9 83.6</p> <td><p>marCCD, 225 mm plate</p> <td><p>Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7BGU">7BGU</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/C9DYSH">10.18150/C9DYSH</a></p> <td><p>EMBL/DESY Hamburg (DORIS) X13</p> <td><p>2.43</p> <td><p>P 1</p> <td><p>29.1 67.9 69.7 77.1 83.3 83.2</p> <td><p>marCCD 165 mm</p> <td><p>Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7D1M">7D1M</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37brr">10.18430/m37brr</a></p> <td><p>SSRF BL17U1</p> <td><p>1.35</p> <td><p>P 1 21 1</p> <td><p>55.5 99.0 59.6 90.0 108.5 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7DKP">7DKP</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37DKP">10.18430/M37DKP</a></p> <td><p>ESRF MASSIF-3</p> <td><p>1.45</p> <td><p>P 1 21 1</p> <td><p>49.8 169.5 49.8 90.0 93.5 90.0</p> <td><p>Dectris Eiger 4M</p> <td><p>Crystal structure of E. coli Grx2 in complex with GSH at 1.45 A resolution</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7K1L">7K1L</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37k1l">10.18430/m37k1l</a></p> <td><p>APS 19-ID</p> <td><p>2.25</p> <td><p>P 63</p> <td><p>150.8 150.8 110.7 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2’,3’-Vanadate</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7KCN">7KCN</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37kcn">10.18430/m37kcn</a></p> <td><p>LNLS W01B-MX2</p> <td><p>1.46</p> <td><p>P 41 2 2</p> <td><p>67.0 67.0 116.9 90.0 90.0 90.0</p> <td><p>PILATUS 2M</p> <td><p>Reconstructed ancestor of HIUases and Transthyretins</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7L6J">7L6J</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37l6j">10.18430/m37l6j</a></p> <td><p>APS 21-ID-F</p> <td><p>1.78</p> <td><p>I 41 3 2</p> <td><p>171.7 171.7 171.7 90.0 90.0 90.0</p> <td><p>Rayonix MX-300</p> <td><p>Crystal Structure of the Putative Hydrolase from Stenotrophomonas maltophilia</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7L84">7L84</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/816">10.15785/sbgrid/816</a></p> <td><p>APS 24-ID-C</p> <td><p>1.60</p> <td><p>P 43 21 2</p> <td><p>79.3 79.3 37.8 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Hen Egg White Lysozyme by Native S-SAD at Room Temperature</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7MZT">7MZT</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37mzt">10.18430/m37mzt</a></p> <td><p>APS 22-ID</p> <td><p>4.07</p> <td><p>P 21 21 2</p> <td><p>113.6 97.0 108.3 90.0 90.0 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Borrelia burgdorferi BBK32-C in complex with an autolytic fragment of human C1r at 4.1A</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7N0I">7N0I</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/835">10.15785/sbgrid/835</a></p> <td><p>ALS 5.0.2</p> <td><p>2.20</p> <td><p>P 21 21 21</p> <td><p>75.8 131.6 140.0 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Structure of the SARS-CoV-2 N protein C-terminal domain bound to single-domain antibody E2</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7N2S">7N2S</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/916">10.15785/sbgrid/916</a></p> <td><p>SSRL BL12-1</p> <td><p>2.37</p> <td><p>P 1 21 1</p> <td><p>83.2 52.8 106.3 90.0 98.3 90.0</p> <td><p>PILATUS 6M</p> <td><p>AS3.1-PRPF3-HLA*B27</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7ORR">7ORR</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37ORR">10.18430/M37ORR</a></p> <td><p>MAX IV BioMAX</p> <td><p>1.79</p> <td><p>I 21 3</p> <td><p>105.9 105.9 105.9 90.0 90.0 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7OS3">7OS3</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/74YTYQ">10.18150/74YTYQ</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>2.18</p> <td><p>P 21 21 21</p> <td><p>78.2 91.0 105.8 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Crystal structure of Rhizobium etli inducible L-asparaginase</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7OU1">7OU1</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/VQQIHQ">10.18150/VQQIHQ</a></p> <td><p>BESSY 14.3</p> <td><p>1.65</p> <td><p>P 1 21 1</p> <td><p>77.9 91.3 114.2 90.0 97.1 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP2)</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7PH1">7PH1</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37PH1">10.18430/M37PH1</a></p> <td><p>BESSY 14.2</p> <td><p>1.18</p> <td><p>I 2 2 2</p> <td><p>75.0 81.3 124.2 90.0 90.0 90.0</p> <td><p>PILATUS3 2M</p> <td><p>Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7PQ7">7PQ7</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M3.IRRMC.6072">10.18430/M3.IRRMC.6072</a></p> <td><p>ELETTRA 11.2C</p> <td><p>1.55</p> <td><p>C 1 2 1</p> <td><p>120.9 51.7 75.5 90.0 125.1 90.0</p> <td><p>PILATUS 6M</p> <td><p>Crystal structure of Campylobacter jejuni DsbA1</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7QIJ">7QIJ</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/907">10.15785/sbgrid/907</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>4.10</p> <td><p>P 21 21 21</p> <td><p>143.5 324.9 369.4 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Complex of the Yersinia enterocolitica Type III secretion export gate YscV with substrate:chaperone complex YscX:YscY</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7QIS">7QIS</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37QIS">10.18430/M37QIS</a></p> <td><p>BESSY 14.2</p> <td><p>1.83</p> <td><p>P 61</p> <td><p>100.3 100.3 206.2 90.0 90.0 120.0</p> <td><p>PILATUS3 2M</p> <td><p>CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7RAA">7RAA</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/881">10.15785/sbgrid/881</a></p> <td><p>SSRL BL12-2</p> <td><p>2.69</p> <td><p>P 43 21 2</p> <td><p>66.4 66.4 298.3 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>Designed StabIL-2 seq15</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7RIS">7RIS</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37RIS">10.18430/M37RIS</a></p> <td><p>APS 21-ID-D</p> <td><p>1.72</p> <td><p>P 32 2 1</p> <td><p>44.5 44.5 189.9 90.0 90.0 120.0</p> <td><p>Dectris Eiger 9M</p> <td><p>Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound phosphate</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7RJI">7RJI</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37RJI">10.18430/M37RJI</a></p> <td><p>LNLS W01B-MX2</p> <td><p>1.71</p> <td><p>H 3 2</p> <td><p>83.0 83.0 124.8 90.0 90.0 120.0</p> <td><p>PILATUS 2M</p> <td><p>BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7T5T">7T5T</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/864">10.15785/sbgrid/864</a></p> <td><p>SSRL BL9-2</p> <td><p>1.35</p> <td><p>P 42 21 2</p> <td><p>95.3 95.3 104.9 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>Structure of Thauera sp. K11 CapP</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7TCD">7TCD</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m37tcd">10.18430/m37tcd</a></p> <td><p>SLS X06SA</p> <td><p>1.70</p> <td><p>C 1 2 1</p> <td><p>138.5 47.9 78.1 90.0 107.6 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>LOV2-DARPIN fusion: D13</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/7YZX">7YZX</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M37YZX">10.18430/M37YZX</a></p> <td><p>Diamond I24</p> <td><p>1.90</p> <td><p>P 63 2 2</p> <td><p>169.4 169.4 141.8 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>ScpA from Streptococcus pyogenes, D783A mutant.</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8A1A">8A1A</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38A1A">10.18430/M38A1A</a></p> <td><p>SLS X06SA</p> <td><p>2.05</p> <td><p>P 65</p> <td><p>191.9 191.9 122.4 90.0 90.0 120.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8AGQ">8AGQ</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38AGQ">10.18430/M38AGQ</a></p> <td><p>SLS X06DA</p> <td><p>1.09</p> <td><p>C 1 2 1</p> <td><p>89.9 55.4 54.8 90.0 113.5 90.0</p> <td><p>PILATUS 2MF</p> <td><p>Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8DQB">8DQB</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38dqb">10.18430/m38dqb</a></p> <td><p>NSLS-II 19-ID</p> <td><p>2.50</p> <td><p>I 2 3</p> <td><p>164.1 164.1 164.1 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I23 Form)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8DYZ">8DYZ</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/957">10.15785/sbgrid/957</a></p> <td><p>CHESS F1</p> <td><p>1.27</p> <td><p>P 43 21 2</p> <td><p>79.6 79.6 38.3 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Hen lysozyme in tetragonal space group at ambient temperature - diffuse scattering dataset</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8DZ7">8DZ7</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/958">10.15785/sbgrid/958</a></p> <td><p>CHESS F1</p> <td><p>1.34</p> <td><p>P 21 21 21</p> <td><p>30.5 56.4 73.9 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Hen lysozyme in orthorhombic space group at ambient temperature - diffuse scattering dataset</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8EGN">8EGN</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38EGN">10.18430/M38EGN</a></p> <td><p>CLSI 08B1-1</p> <td><p>1.95</p> <td><p>P 21 21 21</p> <td><p>71.7 75.2 109.8 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (UDP-N-acetylmuramoyl-L-alanine synthetase, MurC) Pseudomonas aeruginosa in complex with ligand AZ-13643701</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8IYA">8IYA</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38iya">10.18430/m38iya</a></p> <td><p>SSRF BL02U1</p> <td><p>2.43</p> <td><p>C 1 2 1</p> <td><p>102.7 50.1 109.2 90.0 91.8 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Complex of SETDB1-derived peptide bound to UBE2E1</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8K1G">8K1G</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38K1G">10.18430/M38K1G</a></p> <td><p>PAL/PLS 11C</p> <td><p>2.09</p> <td><p>I 4 2 2</p> <td><p>182.0 182.0 80.7 90.0 90.0 90.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of ethylene glycol-bound glycerol dehydrogenase from Klebsiella pneumoniae</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8OIC">8OIC</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38oic">10.18430/m38oic</a></p> <td><p>Diamond I04</p> <td><p>2.80</p> <td><p>P 1</p> <td><p>73.1 94.7 120.6 105.1 90.0 93.8</p> <td><p>Eiger 16M</p> <td><p>Trichomonas vaginalis riboside hydrolase (His-tagged)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8OWM">8OWM</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/II5MT4">10.18150/II5MT4</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>1.70</p> <td><p>P 1</p> <td><p>95.5 95.6 95.8 90.4 93.6 117.8</p> <td><p>Dectris Eiger 16M</p> <td><p>Crystal structure of glutamate dehydrogenase 2 from Arabidopsis thaliana binding Ca, NAD and 2,2-dihydroxyglutarate</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8PQD">8PQD</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38pqd">10.18430/m38pqd</a></p> <td><p>ESRF MASSIF-3</p> <td><p>1.50</p> <td><p>P 21 21 21</p> <td><p>59.4 59.4 192.9 90.0 90.0 90.0</p> <td><p>Dectris Eiger 4M</p> <td><p>c-KIT kinase domain in complex with avapritinib derivative 10</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8QAW">8QAW</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/INUP4Q">10.18150/INUP4Q</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>1.55</p> <td><p>H 3</p> <td><p>137.7 137.7 265.9 90.0 90.0 120.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Medicago truncatula HISN5 (IGPD) in complex with MN, IMD, EDO, FMT, GOL and TRS</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8QJ5">8QJ5</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38qj5">10.18430/m38qj5</a></p> <td><p>ELETTRA 11.2C</p> <td><p>1.63</p> <td><p>P 1 21 1</p> <td><p>57.6 100.6 77.9 90.0 96.1 90.0</p> <td><p>PILATUS 6M</p> <td><p>Crystal structure of the Levansucrase beta from Pseudomonas syringae pv. actinidiae</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8QQ7">8QQ7</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.14901515">10.5281/zenodo.14901515</a></p> <td><p>ESRF MASSIF-1</p> <td><p>3.62</p> <td><p>P 64 2 2</p> <td><p>146.0 146.0 153.6 90.0 90.0 120.0</p> <td><p>PILATUS3 2M</p> <td><p>Structure of SpNOX: a Bacterial NADPH oxidase</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8R5R">8R5R</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38r5r">10.18430/m38r5r</a></p> <td><p>ESRF ID23-1</p> <td><p>3.08</p> <td><p>P 21 21 21</p> <td><p>91.7 132.9 137.5 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 CdTe 16M</p> <td><p>Structure of apo TDO with a bound inhibitor</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8RUD">8RUD</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/RBG2F9">10.18150/RBG2F9</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>2.10</p> <td><p>P 1 21 1</p> <td><p>78.1 91.4 114.5 90.0 96.9 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8S38">8S38</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/CGLBVH">10.18150/CGLBVH</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>1.89</p> <td><p>I 21 21 21</p> <td><p>95.4 163.1 219.0 90.0 90.0 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with citrate and NAD</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8SA8">8SA8</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38SA8">10.18430/M38SA8</a></p> <td><p>NSLS-II 19-ID</p> <td><p>1.30</p> <td><p>I 1 2 1</p> <td><p>87.9 131.5 165.4 90.0 104.5 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, Covalently bound and free PLP (I2 form)</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8SQO">8SQO</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38sqo">10.18430/m38sqo</a></p> <td><p>NSLS-II 19-ID</p> <td><p>1.55</p> <td><p>P 4 3 2</p> <td><p>112.9 112.9 112.9 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of Bacterioferritin (Bfr) from Brucella abortus (magnesium bound, F16L mutant)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8SQQ">8SQQ</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38SQQ">10.18430/M38SQQ</a></p> <td><p>NSLS-II 19-ID</p> <td><p>2.25</p> <td><p>F 4 3 2</p> <td><p>171.5 171.5 171.5 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of Bacterioferritin (Bfr) from Brucella abortus (Apo Cubic Form 2, F16L mutant)</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8SQT">8SQT</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38SQT">10.18430/M38SQT</a></p> <td><p>NSLS-II 19-ID</p> <td><p>2.20</p> <td><p>F 4 3 2</p> <td><p>170.7 170.7 170.7 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of Bacterioferritin (Bfr) from Brucella abortus (iron bound, cubic form 2, F16L mutant)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8T7R">8T7R</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38T7R">10.18430/M38T7R</a></p> <td><p>APS 22-ID</p> <td><p>3.84</p> <td><p>C 1 2 1</p> <td><p>357.1 259.6 255.4 90.0 133.1 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Crystal structure of human leukocyte antigen A*0101 in complex with the Fab of alloreactive antibody E07</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8THA">8THA</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38tha">10.18430/m38tha</a></p> <td><p>SSRL BL9-2</p> <td><p>1.68</p> <td><p>P 64</p> <td><p>69.2 69.2 29.1 90.0 90.0 120.0</p> <td><p>PILATUS 6M</p> <td><p>1TEL, non-compressed, double-helical crystal form</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8TYY">8TYY</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1040">10.15785/sbgrid/1040</a></p> <td><p>APS 24-ID-E</p> <td><p>1.68</p> <td><p>F 4 3 2</p> <td><p>214.9 214.9 214.9 90.0 90.0 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Structure of a bacterial Ubl-deubiquitinase complex (form 2)</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8U0I">8U0I</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38u0i">10.18430/m38u0i</a></p> <td><p>ALS 8.2.1</p> <td><p>1.54</p> <td><p>P 43 21 2</p> <td><p>50.3 50.3 90.6 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8V2T">8V2T</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.10201899">10.5281/zenodo.10201899</a></p> <td><p>NSLS X25</p> <td><p>1.40</p> <td><p>P 42 21 2</p> <td><p>60.9 60.9 92.7 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8V4J">8V4J</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.10222807">10.5281/zenodo.10222807</a></p> <td><p>NSLS X29A</p> <td><p>1.31</p> <td><p>P 42 21 2</p> <td><p>61.0 61.0 92.4 90.0 90.0 90.0</p> <td><p>ADSC Quantum 315</p> <td><p>Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8V4O">8V4O</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m38v4o">10.18430/m38v4o</a></p> <td><p>NSLS-II 19-ID</p> <td><p>2.70</p> <td><p>P 61 2 2</p> <td><p>139.5 139.5 545.0 90.0 90.0 120.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP from Candida albicans</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8XBP">8XBP</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38XBP">10.18430/M38XBP</a></p> <td><p>SOLEIL PROXIMA 1</p> <td><p>1.99</p> <td><p>C 1 2 1</p> <td><p>148.3 50.8 60.2 90.0 92.3 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Crystal structure of AtNATA1 bound to Acetyl CoA</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8XTE">8XTE</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1101">10.15785/sbgrid/1101</a></p> <td><p>SSRF BL19U1</p> <td><p>1.99</p> <td><p>P 32</p> <td><p>208.8 208.8 67.2 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of methyltransferase MpaG’ in complex with SAH and FDHMP</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8XTF">8XTF</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1102">10.15785/sbgrid/1102</a></p> <td><p>SSRF BL02U1</p> <td><p>2.13</p> <td><p>H 3 2</p> <td><p>211.8 211.8 67.4 90.0 90.0 120.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of methyltransferase MpaG’ in complex with SAH and FDHMP-3C</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8XTG">8XTG</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1100">10.15785/sbgrid/1100</a></p> <td><p>SSRF BL19U1</p> <td><p>2.00</p> <td><p>P 32</p> <td><p>199.5 199.5 67.2 90.0 90.0 120.0</p> <td><p></p> <td><p>Crystal structure of methyltransferase MpaG’ in complex with SAH and DMMPA</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8Y74">8Y74</a></p> <td><p>XRDa <a class="reference external" href="https://doi.org/10.51093/xrd-00227">10.51093/xrd-00227</a></p> <td><p>SSRF BL02U1</p> <td><p>1.90</p> <td><p>C 1 2 1</p> <td><p>125.8 76.6 87.1 90.0 92.4 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of 9-mer peptide from H9N2 avian influenza virus in complex with BF2*0201</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/8YS9">8YS9</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M38YS9">10.18430/M38YS9</a></p> <td><p>PAL/PLS 5C (4A)</p> <td><p>1.46</p> <td><p>P 21 21 21</p> <td><p>71.0 77.7 83.2 90.0 90.0 90.0</p> <td><p>Dectris Eiger 9M</p> <td><p>Crystal structure of Phosphatidylethanolamine N-methyltransferase from R. thermophilum complexed with DMPE and SAH</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9B22">9B22</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m39b22">10.18430/m39b22</a></p> <td><p>NSLS-II 19-ID</p> <td><p>1.30</p> <td><p>P 1 21 1</p> <td><p>39.8 92.7 57.7 90.0 91.7 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose and AMP bound)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9BN8">9BN8</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m39bn8">10.18430/m39bn8</a></p> <td><p>NSLS-II 19-ID</p> <td><p>1.35</p> <td><p>P 41</p> <td><p>65.5 65.5 134.8 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of UDP-N-acetylmuramoylalanine–D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9C18">9C18</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.11405662">10.5281/zenodo.11405662</a></p> <td><p>NSLS-II 17-ID-1</p> <td><p>1.90</p> <td><p>P 1</p> <td><p>41.9 42.0 60.2 84.1 87.2 63.7</p> <td><p>Dectris EIGER1 Si 9M</p> <td><p>Human biliverdin IX beta reductase in complex with NADP</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9CHW">9CHW</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1124">10.15785/sbgrid/1124</a></p> <td><p>APS 21-ID-F</p> <td><p>2.16</p> <td><p>P 61</p> <td><p>98.7 98.7 82.1 90.0 90.0 120.0</p> <td><p>Rayonix MX-300</p> <td><p>Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite threofuranosyl thymidine in DNA template</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9CRW">9CRW</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m39crw">10.18430/m39crw</a></p> <td><p>CLSI 08ID-1</p> <td><p>2.49</p> <td><p>P 1 21 1</p> <td><p>84.0 104.6 118.8 90.0 93.4 90.0</p> <td><p>Dectris Eiger 9M</p> <td><p>Crystal structure of the Candida albicans kinesin-8 proximal tail domain</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9E2T">9E2T</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1148">10.15785/sbgrid/1148</a></p> <td><p>SSRL BL12-1</p> <td><p>2.28</p> <td><p>P 1</p> <td><p>75.5 78.1 101.2 94.6 103.4 114.5</p> <td><p>Dectris EIGER2 Si 16M</p> <td><p>Structure of a de novo designed interleukin-21 mimetic complex</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9EA5">9EA5</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1142">10.15785/sbgrid/1142</a></p> <td><p>SSRL BL9-2</p> <td><p>2.00</p> <td><p>P 1 21 1</p> <td><p>65.9 73.1 98.4 90.0 108.7 90.0</p> <td><p>PILATUS 6M</p> <td><p>Structure of Citrobacter BubCD D104A mutant</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9FCF">9FCF</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/DGZKW3">10.18150/DGZKW3</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>2.36</p> <td><p>P 4</p> <td><p>91.3 91.3 35.8 90.0 90.0 90.0</p> <td><p>Dectris EIGER1 Si 16M</p> <td><p>Medicago truncatula 5’-ProFAR isomerase (HISN3) D57N mutant in complex with ProFAR</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9FCG">9FCG</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.18150/LDLSBT">10.18150/LDLSBT</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>1.54</p> <td><p>P 4</p> <td><p>87.8 87.8 35.6 90.0 90.0 90.0</p> <td><p>Dectris EIGER1 Si 16M</p> <td><p>Medicago truncatula 5’-ProFAR isomerase (HISN3) D57N mutant in complex with PrFAR</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9FHC">9FHC</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.11472085">10.5281/zenodo.11472085</a></p> <td><p>SLS X06SA</p> <td><p>2.20</p> <td><p>I 2 3</p> <td><p>227.5 227.5 227.5 90.0 90.0 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Crystallographic structure of AcrB V612F with bound minocycline</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9GDJ">9GDJ</a></p> <td><p>ESRF <a class="reference external" href="https://doi.org/10.15151/ESRF-DC-1848199439">10.15151/ESRF-DC-1848199439</a></p> <td><p>ESRF ID23-1</p> <td><p>1.47</p> <td><p>P 41 21 2</p> <td><p>123.9 123.9 126.4 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 CdTe 16M</p> <td><p>C-Methyltransferase SgMT from Streptomyces griseoviridis</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9GJX">9GJX</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39GJX">10.18430/M39GJX</a></p> <td><p>Diamond I04</p> <td><p>2.40</p> <td><p>P 1 21 1</p> <td><p>76.8 115.8 103.8 90.0 110.3 90.0</p> <td><p>Eiger 16M</p> <td><p>Bacillus licheniformis nitroreductase</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9GQG">9GQG</a></p> <td><p>ESRF <a class="reference external" href="https://doi.org/10.15151/ESRF-DC-1900353437">10.15151/ESRF-DC-1900353437</a></p> <td><p>ESRF ID30B</p> <td><p>2.00</p> <td><p>P 32 2 1</p> <td><p>48.2 48.2 188.0 90.0 90.0 120.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog m5(10,7)-(E)-OH</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9H0Q">9H0Q</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.13912326">10.5281/zenodo.13912326</a></p> <td><p>SOLEIL PROXIMA 2</p> <td><p>2.55</p> <td><p>H 3 2</p> <td><p>169.5 169.5 344.0 90.0 90.0 120.0</p> <td><p>Dectris EIGER1 Si 9M</p> <td><p>N terminal domain of BC2L-C lectin in complex with N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9HNC">9HNC</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.60884/0K7B68">10.60884/0K7B68</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>1.88</p> <td><p>P 1 2 1</p> <td><p>123.8 123.6 187.7 90.0 90.1 90.0</p> <td><p>PILATUS 6M-F</p> <td><p>Crystal structure of potassium-independent L-asparaginase</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9HS7">9HS7</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39HS7">10.18430/M39HS7</a></p> <td><p>ALBA XALOC</p> <td><p>1.70</p> <td><p>P 65</p> <td><p>65.4 65.4 88.8 90.0 90.0 120.0</p> <td><p>PILATUS3 X 6M</p> <td><p>Anti-HIV-1 chimeric miniprotein mimicking the N-terminal half of gp41 NHR with an extended region targeting the MPER</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9I0A">9I0A</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39I0A">10.18430/M39I0A</a></p> <td><p>SOLEIL PROXIMA 1</p> <td><p>2.22</p> <td><p>P 21 21 2</p> <td><p>75.2 98.7 208.6 90.0 90.0 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>CARM1 in complex with arg-aDMA analog</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9I80">9I80</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.14844040">10.5281/zenodo.14844040</a></p> <td><p>SOLEIL PROXIMA 1</p> <td><p>1.95</p> <td><p>P 41</p> <td><p>81.2 81.2 165.0 90.0 90.0 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>LecA in complex with a tolcapone derivative glycomimetic</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9IG7">9IG7</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39IG7">10.18430/M39IG7</a></p> <td><p>PETRA III, EMBL c/o DESY P13 (MX1)</p> <td><p>2.60</p> <td><p>P 21 21 2</p> <td><p>111.5 153.5 69.0 90.0 90.0 90.0</p> <td><p>Dectris EIGER1 Si 16M</p> <td><p>KOD-H4 DNA polymerase mutant in a binary complex with DNA:DNA containing two AtNA nucleotides</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9IH9">9IH9</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39IH9">10.18430/M39IH9</a></p> <td><p>ESRF MASSIF-3</p> <td><p>1.70</p> <td><p>C 1 2 1</p> <td><p>78.8 133.9 82.3 90.0 101.4 90.0</p> <td><p>Dectris EIGER1 Si 4M</p> <td><p>KEAP1 complexed to linear peptide 6</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9JQ9">9JQ9</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39JQ9">10.18430/M39JQ9</a></p> <td><p>Home source, Excillum MetalJet D2+</p> <td><p>1.90</p> <td><p>P 21 21 21</p> <td><p>48.6 50.5 78.6 90.0 90.0 90.0</p> <td><p>PILATUS3 1M</p> <td><p>Crystal structure of Plasmoredoxin from Plasmodium falciparum a disulfide oxidoreductase protein unique to Plasmodium species</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9JZO">9JZO</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/m39jzo">10.18430/m39jzo</a></p> <td><p>PAL/PLS 11C</p> <td><p>1.40</p> <td><p>P 1</p> <td><p>41.6 43.1 54.2 113.0 90.1 118.2</p> <td><p>PILATUS3 6M</p> <td><p>Crystal structure of PHICD111_20024_EAD.</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9KHR">9KHR</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.14070468">10.5281/zenodo.14070468</a></p> <td><p>RRCAT INDUS-2 PX-BL21</p> <td><p>2.00</p> <td><p>P 21 21 21</p> <td><p>48.7 50.3 78.0 90.0 90.0 90.0</p> <td><p>marCCD, 225 mm plate</p> <td><p>Crystal structure of Plasmoredoxin, a disulfide oxidoreductase from Plasmodium falciparum crystallized in the presence of Dithiothreitol (DTT)</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9LXL">9LXL</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.15005358">10.5281/zenodo.15005358</a></p> <td><p>SSRF BL17UM</p> <td><p>2.19</p> <td><p>P 41 21 2</p> <td><p>76.8 76.8 225.3 90.0 90.0 90.0</p> <td><p>EIGER2 S 16M</p> <td><p>Crystal structure of GH29 family alpha-L-fucosidase from Fusarium proliferatum LE1</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9MH4">9MH4</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39MH4">10.18430/M39MH4</a></p> <td><p>NSLS-II 19-ID</p> <td><p>3.05</p> <td><p>P 21 3</p> <td><p>138.7 138.7 138.7 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of Bifunctional protein GlmU from Klebsiella aerogenes</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9MIN">9MIN</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1151">10.15785/sbgrid/1151</a></p> <td><p>ALS 8.2.1</p> <td><p>2.05</p> <td><p>P 21 21 21</p> <td><p>95.5 98.5 155.7 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Structure of a designed minibinder to NYESO1-A*02:01</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9O0H">9O0H</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39O0H">10.18430/M39O0H</a></p> <td><p>SSRL BL12-2</p> <td><p>2.24</p> <td><p>P 21 21 21</p> <td><p>55.2 65.5 112.9 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 16M</p> <td><p>The ubiquitin-associated domain of human thirty-eight negative kinase 1, fused to the 3TEL crystallization chaperone via a 2-glycine linker</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9P7Q">9P7Q</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39P7Q">10.18430/M39P7Q</a></p> <td><p>SSRL BL12-1</p> <td><p>2.21</p> <td><p>C 1 2 1</p> <td><p>97.0 45.0 72.1 90.0 105.1 90.0</p> <td><p>Dectris EIGER2 Si 16M</p> <td><p>273K human S-adenosylmethionine decarboxylase</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9PBB">9PBB</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39PBB">10.18430/M39PBB</a></p> <td><p>SSRL BL12-1</p> <td><p>2.17</p> <td><p>C 1 2 1</p> <td><p>97.4 45.9 72.2 90.0 105.0 90.0</p> <td><p>Dectris EIGER2 Si 16M</p> <td><p>293K human S-adenosylmethionine decarboxylase</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9Q41">9Q41</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1194">10.15785/sbgrid/1194</a></p> <td><p>CHESS 7B2</p> <td><p>1.95</p> <td><p>C 2 2 21</p> <td><p>118.6 133.7 82.4 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 16M</p> <td><p>Crystal Structure of Human Apo Spermidine Synthase</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9Q66">9Q66</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1208">10.15785/sbgrid/1208</a></p> <td><p>NSLS-II 17-ID-1</p> <td><p>2.01</p> <td><p>P 1 21 1</p> <td><p>105.9 67.3 158.0 90.0 99.1 90.0</p> <td><p>Dectris EIGER1 Si 9M</p> <td><p>Human prolyl endopeptidase (PREP) - complex with JP-4-1-7</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9QW8">9QW8</a></p> <td><p>ESRF <a class="reference external" href="https://doi.org/10.15151/ESRF-DC-2127908021">10.15151/ESRF-DC-2127908021</a></p> <td><p>ESRF ID23-1</p> <td><p>1.80</p> <td><p>P 1</p> <td><p>35.6 35.6 100.9 86.5 84.2 72.5</p> <td><p>Dectris EIGER2 CdTe 16M</p> <td><p>FKBP12 in complex with bifunctional ligand 1ad</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9RCI">9RCI</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.15615368">10.5281/zenodo.15615368</a></p> <td><p>SOLEIL PROXIMA 2</p> <td><p>1.66</p> <td><p>P 1</p> <td><p>35.9 39.3 100.9 98.3 90.3 90.1</p> <td><p>Dectris Eiger 9M</p> <td><p>Crystal Structure of Flap Endonuclease FEN1 with Compound 28</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9RCS">9RCS</a></p> <td><p>XRDa <a class="reference external" href="https://doi.org/10.51093/xrd-00383">10.51093/xrd-00383</a></p> <td><p>Diamond I24</p> <td><p>3.01</p> <td><p>P 1 21 1</p> <td><p>70.0 78.8 82.3 90.0 88.6 90.0</p> <td><p>Eiger 9M</p> <td><p>Cardioderma bat coronavirus KY43 receptor binding domain in complex with human CEACAM6</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9RP9">9RP9</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39RP9">10.18430/M39RP9</a></p> <td><p>SOLEIL PROXIMA 1</p> <td><p>2.10</p> <td><p>C 1 2 1</p> <td><p>73.5 59.8 91.7 90.0 100.8 90.0</p> <td><p>Dectris Eiger 16M</p> <td><p>Crystal structure of mouse pVHL-ElonginB-ElonginC complex</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9S02">9S02</a></p> <td><p>MXRDR <a class="reference external" href="https://doi.org/10.60884/NRNGS4">10.60884/NRNGS4</a></p> <td><p>MAX IV BioMAX</p> <td><p>1.65</p> <td><p>P 21 21 2</p> <td><p>163.7 88.0 116.7 90.0 90.0 90.0</p> <td><p>EIGER2 X 16M</p> <td><p>PYCR1 in complex with 3-(2-thiazolyl)propionic acid</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9SL0">9SL0</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39SL0">10.18430/M39SL0</a></p> <td><p>ESRF MASSIF-1</p> <td><p>1.60</p> <td><p>P 21 21 21</p> <td><p>60.2 80.2 111.6 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAV</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9T6S">9T6S</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1260">10.15785/sbgrid/1260</a></p> <td><p>ESRF ID30B</p> <td><p>2.00</p> <td><p>P 21 21 21</p> <td><p>63.0 64.6 102.7 90.0 90.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal Structure of the Listeria monocytogenes CadC with Cadmium</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9UPT">9UPT</a></p> <td><p>XRDa <a class="reference external" href="https://doi.org/10.51093/xrd-00191">10.51093/xrd-00191</a></p> <td><p>NSRRC TPS 05A</p> <td><p>2.37</p> <td><p>P 6</p> <td><p>158.3 158.3 54.0 90.0 90.0 120.0</p> <td><p>SMV, S/N 930</p> <td><p>Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9VX7">9VX7</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39VX7">10.18430/M39VX7</a></p> <td><p>PAL/PLS 5C (4A)</p> <td><p>4.85</p> <td><p>P 64</p> <td><p>122.5 122.5 118.9 90.0 90.0 120.0</p> <td><p>PILATUS3 6M</p> <td><p>Transcription factor</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9VYB">9VYB</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39VYB">10.18430/M39VYB</a></p> <td><p>PAL/PLS 5C (4A)</p> <td><p>2.12</p> <td><p>P 21 21 21</p> <td><p>44.4 47.8 48.4 90.0 90.0 90.0</p> <td><p>Dectris Eiger 9M</p> <td><p>Antitoxin Phd</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9W3Y">9W3Y</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39W3Y">10.18430/M39W3Y</a></p> <td><p>Photon Factory BL-1A</p> <td><p>1.50</p> <td><p>P 21 21 21</p> <td><p>60.7 70.0 94.2 90.0 90.0 90.0</p> <td><p>Dectris EIGER1 Si 4M</p> <td><p>X-ray Crystal Structure of Pseudoazurin Met16Gly variant (Tris-HCl pH 7.6)</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9YL4">9YL4</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.17298261">10.5281/zenodo.17298261</a></p> <td><p>APS 17-ID</p> <td><p>3.70</p> <td><p>P 21 21 21</p> <td><p>95.8 111.3 403.0 90.0 90.0 90.0</p> <td><p>PILATUS 6M</p> <td><p>Crystal structure of PprA S-F filament from Deinococcus radiodurans</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9YZK">9YZK</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39YZK">10.18430/M39YZK</a></p> <td><p>ALS 8.2.2</p> <td><p>4.44</p> <td><p>I 1 2 1</p> <td><p>75.8 163.0 192.3 90.0 98.6 90.0</p> <td><p>PILATUS3 S 2M</p> <td><p>Isoreticular co-crystal 1 with symmetrical expanded duplex (42mer) containing insert sequence ACCCTTCTATGACCTACTCCA</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9Z44">9Z44</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39Z44">10.18430/M39Z44</a></p> <td><p>ALS 8.2.1</p> <td><p>7.20</p> <td><p>I 1 2 1</p> <td><p>73.5 127.7 141.2 90.0 92.0 90.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Isoreticular co-crystal 1 with symmetrical expanded duplex (31mer) containing insert sequence CCCGGCCGGA and loaded with C-clamp domain</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9Z72">9Z72</a></p> <td><p>SBGrid <a class="reference external" href="https://doi.org/10.15785/sbgrid/1239">10.15785/sbgrid/1239</a></p> <td><p>SSRL BL9-2</p> <td><p>2.38</p> <td><p>P 31 2 1</p> <td><p>59.2 59.2 426.2 90.0 90.0 120.0</p> <td><p>Dectris EIGER2 Si 16M</p> <td><p>Structure of V. cholerae CapS (form 1)</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9ZLO">9ZLO</a></p> <td><p>Zenodo <a class="reference external" href="https://doi.org/10.5281/zenodo.18652652">10.5281/zenodo.18652652</a></p> <td><p>Australian Synchrotron MX2</p> <td><p>2.00</p> <td><p>P 21 21 21</p> <td><p>38.4 90.0 107.0 90.0 90.0 90.0</p> <td><p>Dectris EIGER1 Si 16M</p> <td><p>Crystal structure of Proteus mirabilis UreE</p> <tr class=row-even ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9ZM0">9ZM0</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39ZM0">10.18430/M39ZM0</a></p> <td><p>NSLS-II 17-ID-1</p> <td><p>2.10</p> <td><p>P 1 21 1</p> <td><p>50.4 30.1 91.2 90.0 97.1 90.0</p> <td><p>Dectris EIGER1 Si 9M</p> <td><p>Crystal structure of monomeric Atg23</p> <tr class=row-odd ><td><p><a class="reference external" href="https://www.rcsb.org/structure/9ZMU">9ZMU</a></p> <td><p>IRRMC <a class="reference external" href="https://doi.org/10.18430/M39ZMU">10.18430/M39ZMU</a></p> <td><p>NSLS-II 19-ID</p> <td><p>1.98</p> <td><p>P 65 2 2</p> <td><p>47.8 47.8 492.6 90.0 90.0 120.0</p> <td><p>Dectris EIGER2 Si 9M</p> <td><p>Crystal structure of an Iole protein from Brucella melitensis (hexagonal P form)</p> </table> <p>Seven rows have no PDB code. Six are small-molecule / chemical-crystallography datasets, kept because they exercise short wavelengths, CdTe sensors, fine slicing and non-zero detector 2θ; the seventh is the second collection in the 6R72 Zenodo record, described below. They have no deposited macromolecular values, so those columns are blank, and their titles are the repository record titles verbatim.</p> <p>Five datasets are in primitive space groups with no screw axis - 6ZQR, 6ZQY, 6ZR0 and 9FCF in P 4, and 6NEN in P 3 1 2. They are in the battery as negative controls for screw-axis detection: the correct answer for each has no systematic absences.</p> <p>6Z9G is the collection’s only index-4 superstructure: its deposited cell is four times the sublattice a/2, b, c/2, and the four copies of each of its two entities are related by the XOR-closed trio of near-pure translations (1/2,0,0), (0,0,1/2) and (1/2,0,1/2). Every other pseudo-translation in the collection is index 2 or a setting artefact, so it is the one set that exercises a supercell of index greater than two.</p> </section> <section id=archives-that-are-not-a-single-sweep > <h2 id=archives-that-are-not-a-single-sweep >Archives that are not a single sweep<a class=headerlink href="#archives-that-are-not-a-single-sweep" title="Link to this heading">¶</a></h2> <p>Most rows above are a single continuous rotation. The archives described in this section are not, or needed special handling to obtain the images; their layout is read from the image files themselves, from the repository file listings and from the depositors’ own description of the record. Not every archive in the table has had its layout audited to this depth. Where an archive held more than one collection, only one is kept - the repository’s project page is not a reliable guide to this, because it describes the project rather than the tarball (7TCD’s page lists a 900-frame miniCBF sweep the archive does not contain).</p> <p><strong>6R72 - two collections on one crystal.</strong> The Zenodo record holds two complete 360° sweeps of 3600 × 0.1° frames taken from the same crystal: a helical collection, which produced the deposited structure, and a low-dose collection from a single position, which was not used for a deposition and therefore has no PDB entry. Both are in the table, sharing one DOI; the deposited values belong to the helical collection only. The record also ships the authors’ <code class="docutils literal notranslate"><span class=pre >XDS.INP</span></code>.</p> <p><strong>The three CHESS depositions - wedges plus a measured background.</strong> Each crystal was rotated in 50° wedges of 500 × 0.1° frames and translated between wedges to spread the dose. Each crystal also has a rotation at 1° per frame taken with the crystal translated out of the beam, which the depositors include as a measured background and say can be matched to the diffraction frames by the <code class="docutils literal notranslate"><span class=pre >phi</span></code> value in the image header.</p> <table> <thead> <tr class=row-odd ><th class=head ><p>PDB</p> <th class=head ><p>Crystals</p> <th class=head ><p>Wedges per crystal</p> <th class=head ><p>Background rotation</p> <tr class=row-even ><td><p>8DYZ</p> <td><p>1</p> <td><p>8</p> <td><p>360 frames</p> <tr class=row-odd ><td><p>8DZ7</p> <td><p>2</p> <td><p>4</p> <td><p>200 frames per crystal</p> <tr class=row-even ><td><p>6O2H</p> <td><p>4</p> <td><p>1, 3, 2, 5 - 11 in all</p> <td><p>50, 145, 95, 235 frames, one per crystal</p> </table> <p><strong>Four archives added for facility coverage hold more than one sweep.</strong> One sweep is kept, and the row is pinned to it. 7BGU’s MXRDR record is one directory of 900 marCCD frames that are two sweeps with different oscillation widths: frames 1001-1674 (0.4°) are the row, frames 1675-1900 were moved to <code class="docutils literal notranslate"><span class=pre >sweep2/</span></code> so the reader sees one sweep. 5JK4’s archive holds a high-resolution sweep of 185 frames (80 mm, 1°) and a low-resolution one of 93 frames (250 mm, 2°); the row is the high-resolution sweep. 6RYM’s zip holds two sweeps (<code class="docutils literal notranslate"><span class=pre >jmp47a2_1</span></code>, 70 frames; <code class="docutils literal notranslate"><span class=pre >jmp47a2_2</span></code>, 60 frames); the row is the first. 6GVK’s Zenodo record has three tarballs (<code class="docutils literal notranslate"><span class=pre >set1</span></code>-<code class="docutils literal notranslate"><span class=pre >set3</span></code>); only <code class="docutils literal notranslate"><span class=pre >set1</span></code> (1800 miniCBF frames) was downloaded and is the row.</p> <p><strong>Seven IRRMC archives hold more than one collection.</strong> In six of them one sweep is kept and the rest were deleted, so a run over the data directory sees a single collection per dataset. 7RIS is the exception: its two sweeps are at different wavelengths and both are kept.</p> <table> <thead> <tr class=row-odd ><th class=head ><p>PDB</p> <th class=head ><p>What the archive holds</p> <th class=head ><p>Kept</p> <tr class=row-even ><td><p>6UKF</p> <td><p>two sweeps on one crystal - 960 x 0.25° (240°) and 1440 x 0.25° (360°)</p> <td><p>the 360° sweep</p> <tr class=row-odd ><td><p>7DKP</p> <td><p>two complete 360° sweeps on one crystal, 3° apart in ω</p> <td><p>the first</p> <tr class=row-even ><td><p>9PBB</p> <td><p>two overlapping 135° wedges of one crystal, 90 x 1.5° each</p> <td><p>the first</p> <tr class=row-odd ><td><p>8U0I</p> <td><p>a 69-frame screening wedge and three 180° sweeps on three crystals</p> <td><p>the first 180° sweep</p> <tr class=row-even ><td><p>36GK</p> <td><p>two 360° sweeps of 1800 x 0.2° at the same geometry</p> <td><p>the one the archive and DOI are named for</p> <tr class=row-odd ><td><p>9CRW</p> <td><p>a dose pair on one crystal 37 min apart - 0.025 s at 289 mm, 0.010 s at 276 mm</p> <td><p>the 0.025 s sweep, whose 2.5 Å target matches the deposited 2.49 Å</p> <tr class=row-even ><td><p>7RIS</p> <td><p>two crystals at two wavelengths - 1.53494 Å (Ho derivative) and 1.03329 Å (the deposited native)</p> <td><p><strong>both</strong></p> </table> <p><strong>Ten further archives hold more than one collection.</strong> Their layout was read from the image files and repository listings; one sweep is kept for a run over the data directory unless noted.</p> <table> <thead> <tr class=row-odd ><th class=head ><p>PDB / dataset</p> <th class=head ><p>What the archive holds</p> <th class=head ><p>Kept</p> <tr class=row-even ><td><p>5JVN</p> <td><p>two 360° sweeps of one crystal, 3600 × 0.1° each (<code class="docutils literal notranslate"><span class=pre >w1_3</span></code>, <code class="docutils literal notranslate"><span class=pre >w1_4</span></code>)</p> <td><p>the <code class="docutils literal notranslate"><span class=pre >w1_3</span></code> sweep</p> <tr class=row-odd ><td><p>6FID</p> <td><p>two 360° sweeps of one crystal, 3600 × 0.1° each</p> <td><p>the first</p> <tr class=row-even ><td><p>6IU8</p> <td><p>a two-wavelength MAD pair, 720 × 0.5° each at 1.605 Å (low remote) and 1.740 Å (peak)</p> <td><p><strong>both</strong> - the pair is the point</p> <tr class=row-odd ><td><p>7OS3</p> <td><p>four 360° sweeps at λ 2.066 Å, 3600 × 0.1° each, from two crystal positions (<code class="docutils literal notranslate"><span class=pre >pos2_1/2</span></code>, <code class="docutils literal notranslate"><span class=pre >pos3_1/2</span></code>)</p> <td><p>all four are kept as separate sweep directories <code class="docutils literal notranslate"><span class=pre >pos*/</span></code></p> <tr class=row-even ><td><p>7L84</p> <td><p>two ~720° helical sweeps, 1439 × 0.5° each at λ 1.892 Å, room temperature</p> <td><p>the <code class="docutils literal notranslate"><span class=pre >301_helical_1</span></code> sweep</p> <tr class=row-odd ><td><p>5M17</p> <td><p>seven crystals in one tar (5M03/5M17/5MEL/5MC8/5M5D/5M3W/5LYR), one 1800-frame sweep each</p> <td><p>only the 5M17 tar was downloaded</p> <tr class=row-even ><td><p>cytidine</p> <td><p>six scans, three ω and three φ, at 2θ = 30° (I19-1 commissioning)</p> <td><p>the 1800-frame φ scan</p> <tr class=row-odd ><td><p>lalanine</p> <td><p>four runs of the RODIN L-alanine deposition at 2θ = 20°</p> <td><p>the 900-frame <code class="docutils literal notranslate"><span class=pre >pgw240050_01</span></code> run</p> <tr class=row-even ><td><p>9E2T</p> <td><p>one continuous sweep plus screening images</p> <td><p>the 2700-frame sweep</p> <tr class=row-odd ><td><p>8OWM</p> <td><p>three MXRDR zips covering one 1800-frame sweep, plus a processed-data zip</p> <td><p>the three sweep zips (proc zip skipped)</p> </table> <p><strong>Three archives needed special handling to obtain the images.</strong></p> <ul class=simple > <li><p><strong>5KY6</strong> is served by MXRDR as 11 separate RAR archives, one folder of frames per archive, 50 frames per archive except the last, 564 frames in all. Reading them needs a RAR reader with RAR3 filter support: the official 7-Zip <code class="docutils literal notranslate"><span class=pre >7zz</span></code> reads them, while the unrar-free and p7zip builds of Enterprise Linux 8 cannot.</p> <li><p><strong>6ZR0</strong>’s zip, as the Keele University repository serves it, is damaged: it has no central directory. Frames 1-1059 of the 1060 were recovered from the zip’s local file headers; the last frame is lost.</p> <li><p><strong>6NEN</strong>’s University of Queensland eSpace record blocks scripted download, so its archive was downloaded by hand in a browser.</p> </ul> </section> <section id=datasets-published-as-raw-data-letters > <h2 id=datasets-published-as-raw-data-letters >Datasets published as Raw Data Letters<a class=headerlink href="#datasets-published-as-raw-data-letters" title="Link to this heading">¶</a></h2> <p>Three of the datasets - 6R72, 8QQ7 and 6RLR - were published as IUCrData Raw Data Letters, a format whose purpose is to make raw images citable and re-processable in their own right. The letters describe the collections and the difficulties in them, and are the reference for what the data are:</p> <ul class=simple > <li><p>V. Zampieri, A. Vermot, M. Thepaut, I. Petit-Hartlein, F. Fieschi, P. Falson and V. Chaptal, “X-ray diffraction images for two membrane protein crystals presenting high anisotropy; the <em>B. subtilis</em> ABC transporter BmrA and the <em>S. pneumoniae</em> NADPH oxidase” (2025), IUCrData 10, x250591 <a class="reference external" href="https://doi.org/10.1107/S2414314625005917">doi:10.1107/S2414314625005917</a> - covers 6R72 and 8QQ7.</p> <li><p>V. Neviani, M. Lutz, W. Oosterheert, P. Gros and L. Kroon-Batenburg, “Crystal structure of the second extracellular domain of human tetraspanin CD9: twinning and diffuse scattering” (2022), IUCrData 7, x220852 <a class="reference external" href="https://doi.org/10.1107/S2414314622008525">doi:10.1107/S2414314622008525</a> - covers 6RLR.</p> </ul> <p>The authors of the second letter also published their own reciprocal-space reconstruction of the 6RLR data as a separate Zenodo record, <a class="reference external" href="https://doi.org/10.5281/zenodo.6961763">10.5281/zenodo.6961763</a>.</p> </section> <section id=detector-column-for-marccd-and-smv-files > <h2 id=detector-column-for-marccd-and-smv-files >Detector column for marCCD and SMV files<a class=headerlink href="#detector-column-for-marccd-and-smv-files" title="Link to this heading">¶</a></h2> <p>marCCD and SMV files name the detector differently - or not at all. A marCCD file names no model: its instrument header states the image dimensions and the pixel size, from which the plate size follows (3072 x 73.242 um = 225 mm, 4096 x 73.242 um = 300 mm), and its comment block a serial number; the LS-CAT beamlines additionally write <code class="docutils literal notranslate"><span class=pre >detector='Rayonix</span> <span class=pre >MX-300</span> <span class=pre >s/n</span> <span class=pre >023'</span></code> into the dataset comment. An ADSC-style SMV header names only a serial (<code class="docutils literal notranslate"><span class=pre >DETECTOR_SN=930</span></code>); a Rigaku d*TREK one names the model (<code class="docutils literal notranslate"><span class=pre >CCD_DETECTOR_DESCRIPTION=Saturn944+</span></code>), and that is what its row carries. For those rows the Detector column carries what the file itself establishes: the plate size (<code class="docutils literal notranslate"><span class=pre >marCCD,</span> <span class=pre >225</span> <span class=pre >mm</span> <span class=pre >plate</span></code>), the comment’s name where one is present (<code class="docutils literal notranslate"><span class=pre >Rayonix</span> <span class=pre >MX-300</span></code>), or the serial (<code class="docutils literal notranslate"><span class=pre >SMV,</span> <span class=pre >S/N</span> <span class=pre >930</span></code>).</p> </section> <section id=deposited-models-and-structure-factors > <h2 id=deposited-models-and-structure-factors >Deposited models and structure factors<a class=headerlink href="#deposited-models-and-structure-factors" title="Link to this heading">¶</a></h2> <p>184 of the 191 datasets have a released PDB entry, and RCSB reports released structure factors (<code class="docutils literal notranslate"><span class=pre >status_code_sf</span> <span class=pre >=</span> <span class=pre >REL</span></code>) for every one of them. A merged result from this pipeline can therefore be checked against the deposited model or against the deposited intensities.</p> </section> <section id=rows-where-our-reduction-and-the-deposition-disagree > <h2 id=rows-where-our-reduction-and-the-deposition-disagree >Rows where our reduction and the deposition disagree<a class=headerlink href="#rows-where-our-reduction-and-the-deposition-disagree" title="Link to this heading">¶</a></h2> <p>Six of the 181 rows are ones where <code class="docutils literal notranslate"><span class=pre >rugnux</span></code> does not reproduce the deposited space group or cell, and where we have looked at the disagreement closely enough to change how the row is scored. They are collected here because a scoring row that silently disagrees with a published entry is not something a reader should have to discover from the code.</p> <p><strong>These are open questions, not errors we are attributing to the PDB.</strong> A deposited entry was arrived at by someone who had something we do not: a model that had to refine, and usually more knowledge of the crystal than the images carry. Where we describe evidence below, it is evidence about <em>what these images support</em>, which is a narrower thing than what the crystal is. In every one of the symmetry rows the possibility that the crystal really has the lower symmetry, with a pseudo-symmetry too exact for any test available to us to see, remains live - see the limit at the end of this section.</p> <p>How the manifest records it, in <code class="docutils literal notranslate"><span class=pre >tools/battery/open.json</span></code>:</p> <ul class=simple > <li><p><code class="docutils literal notranslate"><span class=pre >ref</span></code> always keeps the deposited values verbatim, so the deposition is never lost.</p> <li><p><code class="docutils literal notranslate"><span class=pre >ref_alternatives</span></code> lists the <em>other</em> answers the row accepts. Each one replaces the reference fields it names - a space group, a cell, or both - and the row passes if our answer matches any of the references, the deposited one included. Each must carry <code class="docutils literal notranslate"><span class=pre >why</span></code>; an alternative with no stated reason is a schema error, not a silent pass, so the mechanism cannot become a way to turn a failure into a pass quietly. This is how the five knife-edge rows below are recorded: we are not asserting that our answer is right, only that both descriptions are defensible and that picking either one is acceptable. The report counts these rows separately from ordinary passes and prints the reason, so a reader can see how many there are and judge each.</p> <li><p><code class="docutils literal notranslate"><span class=pre >ref_override</span></code> replaces the fields the battery scores against, with <code class="docutils literal notranslate"><span class=pre >ref_override_why</span></code>. It <em>asserts</em> a corrected reference, so it is for a reference we can show to be wrong about these images - 8XBP below - and not for a disagreement that is open.</p> <li><p><code class="docutils literal notranslate"><span class=pre >unscored</span></code> drops the row from scoring entirely. It is a last resort: it also loses a test that still works, which is why an open question is now recorded as accepted alternatives instead.</p> </ul> <section id=xbp-is-a-question-about-provenance-not-about-symmetry > <h3 id=xbp-is-a-question-about-provenance-not-about-symmetry >8XBP is a question about provenance, not about symmetry<a class=headerlink href="#xbp-is-a-question-about-provenance-not-about-symmetry" title="Link to this heading">¶</a></h3> <p>8XBP is different in kind from the other five and should not be read alongside them. Nothing here concerns the deposited model or its space group. The question is whether the raw images uploaded with the entry are the same crystal the deposited cell describes: the master file records <code class="docutils literal notranslate"><span class=pre >data_collection_date</span></code> 2023-06-21 where the entry records a collection date of 2023-06-23, and the deposited <em>b</em> = 50.78 A is 2.0% away from the <em>b</em> these images give. Two independent signals, one of them nothing to do with our processing. The override replaces the cell with the one DIALS 3.29 indexes de novo on this master and keeps the deposited space group and resolution.</p> </section> <section id=four-trigonal-and-tetragonal-rows-where-we-read-a-higher-point-group > <h3 id=four-trigonal-and-tetragonal-rows-where-we-read-a-higher-point-group >Four trigonal and tetragonal rows where we read a higher point group<a class=headerlink href="#four-trigonal-and-tetragonal-rows-where-we-read-a-higher-point-group" title="Link to this heading">¶</a></h3> <table> <thead> <tr class=row-odd ><th class=head ><p>PDB</p> <th class=head ><p>Deposited</p> <th class=head ><p><code class="docutils literal notranslate"><span class=pre >rugnux</span></code> reads</p> <th class=head ><p>Where it stands</p> <tr class=row-even ><td><p>6TOC</p> <td><p>P 4<sub>2</sub></p> <td><p>P 4<sub>2</sub> 2 2</p> <td><p>both acceptable; the refinement test is not unanimous</p> <tr class=row-odd ><td><p>8XTE</p> <td><p>P 3<sub>2</sub></p> <td><p>P 3<sub>1</sub> 2 1 / P 3<sub>2</sub> 2 1</p> <td><p>both acceptable; ours is the better supported</p> <tr class=row-even ><td><p>8XTG</p> <td><p>P 3<sub>2</sub></p> <td><p>P 3<sub>1</sub> 2 1 / P 3<sub>2</sub> 2 1</p> <td><p>both acceptable; the <strong>deposition</strong> is the better supported</p> <tr class=row-odd ><td><p>6PXB</p> <td><p>P 3<sub>2</sub></p> <td><p>P 3<sub>1</sub> 1 2 / P 3<sub>2</sub> 1 2</p> <td><p>both acceptable; unresolved in either direction</p> </table> <p>All four accept either answer: the deposited group and the one we read both pass. None of them is a claim that the deposited assignment is wrong - each is a question we cannot close, and 8XTE and 8XTG do not lean the same way, so they should not be read in one voice. The two 8XT* rows were for a time scored against our own answer by editing the reference itself, with no reason recorded; the deposition is back in <code class="docutils literal notranslate"><span class=pre >ref</span></code> verbatim and the disagreement is stated here.</p> <p><strong>6TOC.</strong> The deposited asymmetric unit holds two chains, and they are related by the very two-fold the higher group adds, to 0.16 A C-alpha RMSD over 43 residues - coordinate error at the deposited 1.85 A. Merging in P 4<sub>2</sub> 2 2 costs 0.0006 in R<sub>meas</sub> for 1.75 times the multiplicity, and correlates better with the deposited model than the P 4<sub>2</sub> merge does. POINTLESS, run independently on our own P1 merge, reads the same point group. The refinement test - refine in each candidate group and compare R-free, which is the one comparison not biased toward the group the deposited model was refined in - does <strong>not</strong> come out unanimous: ZANUDA 1.097 makes P 4<sub>2</sub> 2 2 the better group at half the parameters and reports the deposited assignment incorrect, while an independent Refmac 5.8.0431 comparison on a symmetry-consistent free set makes P 4<sub>2</sub> the better one, by less than the spread between refinement protocols - the spread of the test exceeds the effect it is being asked to measure. Both answers are therefore accepted, with the refinement evidence recorded as split.</p> <p><strong>8XTE.</strong> The distinguishing test is the twin-immune centric zone: reflections that the higher group makes centric but the subgroup does not are their own twin mates, so a merohedral twin law cannot make them read centric. They read <code class="docutils literal notranslate"><span class=pre ><|E^2-1|></span></code> = 0.946 +/- 0.012 against a centric expectation of 0.968 and an acentric one of 0.736. Re-refinement on a shared free set, with the twin law removed from both sides, favours the higher group. The deposited entry’s published R values are themselves reproducible only with a twin law the entry does not declare, at a twin fraction of 0.50 - and a 0.50-twinned target already has the symmetry in question. Of the four rows this is the one where the evidence most clearly favours what we read; it still cannot be closed, because the centric zone is the only test that speaks to it (see the limit below), so both answers are accepted.</p> <p><strong>8XTG.</strong> This row is genuinely open and is flagged as such in the manifest. Every correlation-based instrument we have - our own operator correlations, and POINTLESS on our P1 merge - reads the higher point group, but the centric-zone test, the only one of them that can separate real symmetry from pseudo-symmetry, reads <code class="docutils literal notranslate"><span class=pre ><|E^2-1|></span></code> = 0.869 at -44.9 nats: between the two expectations, and on the wrong side. The L-test indicates a twin fraction near 0.20-0.26. Whether this crystal is partially twinned or purely pseudo-symmetric has not been established. Here the better-supported answer is the deposited one, which is the opposite of 8XTE: the two rows look alike in the table and are not alike in the evidence. Both answers are accepted.</p> <p><strong>6PXB.</strong> Unscored rather than overridden, because the evidence does not settle either way. Our merge and POINTLESS both read a 312 point group, the added two-folds correlate at or above the level of the three-folds nobody disputes, and merging in the higher group <em>lowers</em> R<sub>meas</sub> at twice the multiplicity. Against that, the deposited asymmetric unit’s six chains pair under the added two-fold at 0.3-0.7 A, which is more than coordinate error at 1.75 A, and ZANUDA settles on a different trigonal supergroup - 321 rather than 312 - whose operators these data do not support. Neither answer is established in either direction, so both are accepted and the row still tests everything else about the set.</p> </section> <section id=rci-two-defensible-descriptions-of-one-lattice > <h3 id=rci-two-defensible-descriptions-of-one-lattice >9RCI: two defensible descriptions of one lattice<a class=headerlink href="#rci-two-defensible-descriptions-of-one-lattice" title="Link to this heading">¶</a></h3> <p>The sixth row is not about symmetry but about which cell describes the crystal. The Patterson has an off-origin peak at 62.5% of the origin, so a genuine translational NCS relates the two halves of the cell <code class="docutils literal notranslate"><span class=pre >rugnux</span></code> reports, and the deposited cell is that supercell’s (0, 1/2, 1/2)-centred sublattice to 0.17%. Both are correct descriptions of the same diffraction: one leaves the near-translation in the contents of a doubled cell, the other absorbs it into the lattice and indexes only the strong sublattice. Which one a program should prefer is a choice, not a measurement, so the row accepts either. The alternative cell recorded in the manifest is computed from the deposited cell alone (c’ = b + 2c, centring removed), not copied from our output, so it stays a statement about the deposition’s lattice.</p> </section> <section id=the-limit-that-applies-to-all-four-symmetry-rows > <h3 id=the-limit-that-applies-to-all-four-symmetry-rows >The limit that applies to all four symmetry rows<a class=headerlink href="#the-limit-that-applies-to-all-four-symmetry-rows" title="Link to this heading">¶</a></h3> <p>A merohedral twin at a twin fraction of exactly 0.5 and a crystal that genuinely has the higher symmetry predict <strong>identical</strong> intensities. No amount of data and no refinement R separates them, and the same holds, approximately, for a pseudo-symmetry that is merely very exact. Every test described above measures how nearly a symmetry operator holds on these images; none of them can show that it holds exactly. Where the higher symmetry is right, merging in it gains multiplicity and completeness; where it is a pseudo-symmetry that close, merging in it costs nothing measurable either. That is why these rows are described as open questions, and why none of them should be read as a statement that a deposited model is wrong.</p> </section> </section> <section id=dataset-directories-whose-name-is-not-the-pdb-code > <h2 id=dataset-directories-whose-name-is-not-the-pdb-code >Dataset directories whose name is not the PDB code<a class=headerlink href="#dataset-directories-whose-name-is-not-the-pdb-code" title="Link to this heading">¶</a></h2> <table> <thead> <tr class=row-odd ><th class=head ><p>Directory</p> <th class=head ><p>PDB code in the table</p> <th class=head ><p>Why</p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >7brr</span></code></p> <td><p>7D1M</p> <td><p>The IRRMC archive and its DOI are published under 7BRR, which the PDB obsoleted on 2020-10-28 and replaced with 7D1M. The directory and the DOI keep the archive’s own name; the deposited values are 7D1M’s.</p> </table> </section> <section id=an-archive-that-ships-placeholder-images > <h2 id=an-archive-that-ships-placeholder-images >An archive that ships placeholder images<a class=headerlink href="#an-archive-that-ships-placeholder-images" title="Link to this heading">¶</a></h2> <p>8AGQ’s <code class="docutils literal notranslate"><span class=pre >data/</span></code> directory contains 30 files named <code class="docutils literal notranslate"><span class=pre >ForBackgroundOnly_000NN.img</span></code> alongside the 1800-frame sweep. They are not images: each is a 64-byte text file holding a path string. A reader that globs <code class="docutils literal notranslate"><span class=pre >*.img</span></code> will pick them up, so they are named here rather than silently left.</p> </section> <section id=datasets-with-no-pdb-entry > <h2 id=datasets-with-no-pdb-entry >Datasets with no PDB entry<a class=headerlink href="#datasets-with-no-pdb-entry" title="Link to this heading">¶</a></h2> <table> <thead> <tr class=row-odd ><th class=head ><p>Dataset</p> <th class=head ><p>Repository record</p> <th class=head ><p>Why there is no PDB code</p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >6r72/ld</span></code></p> <td><p>Zenodo record 10.5281/zenodo.14894181, file prefix <code class="docutils literal notranslate"><span class=pre >V-CK63-8-ld_1_</span></code></p> <td><p>a second collection in the 6R72 record - a low-dose sweep on the same crystal, not the one the deposited structure was built from</p> <tr class=row-odd ><td><p><code class="docutils literal notranslate"><span class=pre >cuhf2</span></code></p> <td><p>Zenodo record 10.5281/zenodo.6347466</p> <td><p>a small-molecule dataset, not a PDB deposition</p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >dnba</span></code></p> <td><p>Zenodo record 10.5281/zenodo.1036416</p> <td><p>a small-molecule dataset, not a PDB deposition</p> <tr class=row-odd ><td><p><code class="docutils literal notranslate"><span class=pre >metformin</span></code></p> <td><p>Zenodo record 10.5281/zenodo.20135265</p> <td><p>a small-molecule dataset, not a PDB deposition</p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >nidppe</span></code></p> <td><p>Zenodo record 10.5281/zenodo.20041091</p> <td><p>a small-molecule dataset, not a PDB deposition</p> <tr class=row-odd ><td><p><code class="docutils literal notranslate"><span class=pre >cytidine</span></code></p> <td><p>Zenodo record 10.5281/zenodo.33555</p> <td><p>a small-molecule dataset, not a PDB deposition</p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >lalanine</span></code></p> <td><p>Zenodo record 10.5281/zenodo.11946282</p> <td><p>a small-molecule dataset, not a PDB deposition</p> </table> <p>Five of the six small-molecule sets have a published structure to check a run against. These are reference values from the literature, not results obtained here.</p> <table> <thead> <tr class=row-odd ><th class=head ><p>Dataset</p> <th class=head ><p>Space group</p> <th class=head ><p>Cell (A, deg)</p> <th class=head ><p>T</p> <th class=head ><p>Reference</p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >dnba</span></code></p> <td><p><code class="docutils literal notranslate"><span class=pre >C</span> <span class=pre >1</span> <span class=pre >2/c</span> <span class=pre >1</span></code> (15)</p> <td><p>20.2635 8.7575 9.6697 / 90 109.941 90</p> <td><p>30 K</p> <td><p>the Zenodo record’s own title and the <code class="docutils literal notranslate"><span class=pre >xia2.html</span></code> the depositors ship inside it, corroborated by COD 4510614/4510615 - Cryst. Growth Des. <strong>13</strong> (2013) 1861-1871 <a class="reference external" href="https://doi.org/10.1021/cg300906j">doi:10.1021/cg300906j</a></p> <tr class=row-odd ><td><p><code class="docutils literal notranslate"><span class=pre >metformin</span></code></p> <td><p><code class="docutils literal notranslate"><span class=pre >P</span> <span class=pre >1</span> <span class=pre >21/c</span> <span class=pre >1</span></code> (14)</p> <td><p>7.9104 13.8794 7.9310 / 90 114.606 90</p> <td><p>100 K</p> <td><p>the hydrochloride, form I; COD 2108029 - Acta Cryst. B<strong>73</strong> (2017) 10-22 <a class="reference external" href="https://doi.org/10.1107/S2052520616017844">doi:10.1107/S2052520616017844</a></p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >nidppe</span></code></p> <td><p><code class="docutils literal notranslate"><span class=pre >P</span> <span class=pre >1</span> <span class=pre >21/c</span> <span class=pre >1</span></code> (14)</p> <td><p>11.2779 13.3386 15.8739 / 90 98.7953 90</p> <td><p>150 K</p> <td><p>COD 2012031 - Acta Cryst. C<strong>57</strong> (2001) 690-693 <a class="reference external" href="https://doi.org/10.1107/S0108270101003961">doi:10.1107/S0108270101003961</a></p> <tr class=row-odd ><td><p><code class="docutils literal notranslate"><span class=pre >cytidine</span></code></p> <td><p><code class="docutils literal notranslate"><span class=pre >P</span> <span class=pre >21</span> <span class=pre >21</span> <span class=pre >21</span></code> (19)</p> <td><p>13.98 14.788 5.119 / 90 90 90</p> <td><p>296 K</p> <td><p>β-cytidine; COD 2001311 - D. L. Ward, Acta Cryst. C<strong>49</strong> (1993) 1789-1792 <a class="reference external" href="https://doi.org/10.1107/S0108270193003464">doi:10.1107/S0108270193003464</a></p> <tr class=row-even ><td><p><code class="docutils literal notranslate"><span class=pre >lalanine</span></code></p> <td><p><code class="docutils literal notranslate"><span class=pre >P</span> <span class=pre >21</span> <span class=pre >21</span> <span class=pre >21</span></code> (19)</p> <td><p>5.791 5.944 12.269 / 90 90 90</p> <td><p>100 K</p> <td><p>COD 2311261 - S. Parsons, H. D. Flack, T. Wagner, Acta Cryst. B<strong>69</strong> (2013) 249-259 <a class="reference external" href="https://doi.org/10.1107/S2052519213010014">doi:10.1107/S2052519213010014</a></p> </table> <p><code class="docutils literal notranslate"><span class=pre >cuhf2</span></code> has no confirmed cell. Its space group is published as <code class="docutils literal notranslate"><span class=pre >P</span> <span class=pre >4/n</span> <span class=pre >m</span> <span class=pre >m</span></code> (Phys. Rev. B <strong>81</strong>, 064422 (2010) <a class="reference external" href="https://doi.org/10.1103/PhysRevB.81.064422">doi:10.1103/PhysRevB.81.064422</a>) but no numeric cell was located, so a run on it can be scored on the space group and not on the cell.</p> </section> <section id=the-collection-in-numbers > <h2 id=the-collection-in-numbers >The collection in numbers<a class=headerlink href="#the-collection-in-numbers" title="Link to this heading">¶</a></h2> <p>The collection was chosen to widen the spread of file formats, detectors, facilities and symmetries rather than to be easy to process. The counts below describe where it comes from; like everything else on this page, they are metadata about the depositions and their files, not measurements.</p> <ul class=simple > <li><p><strong>Repository:</strong> IRRMC 94, SBGrid 36, Zenodo 34, MXRDR 16, Keele University 4, ESRF 3, XRDa 3, UQ eSpace 1.</p> <li><p><strong>Facility</strong> - counted from the facility part of the Facility / beamline column, the beamline ignored so that entries deposited with and without one count the same, over the 180 rows that name one: APS 26, Diamond 20, ESRF 17, NSLS-II 14, BESSY 12, PETRA III 12, SSRL 11, ALS 8, SLS 7, SOLEIL 7, SPring-8 7, SSRF 7, PAL/PLS 5, CHESS 4, CLSI 4, ALBA 3, Australian Synchrotron 3, ELETTRA 2, LNLS 2, MAX IV 2, NSLS 2, and one each from NSRRC, Photon Factory, RRCAT Indus-2, SRS Daresbury and EMBL/DESY Hamburg (DORIS) - 26 facilities. The other ten rows were collected on laboratory sources: nine on rotating anodes and one on a liquid-metal jet.</p> <li><p><strong>Crystal system, from the deposited space group of the 184 PDB-coded rows:</strong> orthorhombic 46, monoclinic 44, tetragonal 30, trigonal 21, hexagonal 17, cubic 13, triclinic 13.</p> <li><p><strong>Pink beam:</strong> none of these datasets was collected with pink beam. All 184 PDB-coded rows are deposited as <code class="docutils literal notranslate"><span class=pre >SINGLE</span> <span class=pre >WAVELENGTH</span></code> (<code class="docutils literal notranslate"><span class=pre >_diffrn_radiation.pdbx_diffrn_protocol</span></code>), and all but 5REO, which leaves the field blank, as monochromatic (<code class="docutils literal notranslate"><span class=pre >pdbx_monochromatic_or_laue_m_l</span></code> <code class="docutils literal notranslate"><span class=pre >M</span></code>); 9Q41 is the one row recorded with a multilayer rather than a crystal monochromator (CHESS Rh/B4C). The battery’s pink-beam data are in-house SLS measurements (tag <code class="docutils literal notranslate"><span class=pre >pink-beam</span></code> in <code class="docutils literal notranslate"><span class=pre >tools/battery/inhouse.json</span></code>), not on this page.</p> <li><p><strong>Long cell axes:</strong> eleven PDB-coded rows have a deposited cell axis longer than 320 Å - 8V4O, 9ZMU, 9Z72, 9YL4, 5NW5, 6QAJ, 7QIJ, 8T7R, 9H0Q, 6G1F and 6OEL.</p> </ul> <p>The marCCD, SMV and gzip-compressed miniCBF datasets are the reason rugnux reads those formats natively, and accepts the <code class="docutils literal notranslate"><span class=pre >.img</span></code> and numeric-suffix (<code class="docutils literal notranslate"><span class=pre >.001</span></code>) file names they arrive with.</p> </section> <section id=licences > <h2 id=licences >Licences<a class=headerlink href="#licences" title="Link to this heading">¶</a></h2> <p>Each dataset carries the licence of its own deposition, stated on the record page linked above. IRRMC and the SBGrid Data Bank both release under CC0 and both ask that the dataset’s own citation - its DOI - be used; the Zenodo records here are CC0 or CC BY 4.0, as each record states. None of these data are redistributed with Jungfraujoch; this page only records where they came from.</p> </section> </section> </article> </div> </div> </main> </div> <footer class=md-footer > <div class=md-footer-nav > <nav class="md-footer-nav__inner md-grid"> <a href=ACKNOWLEDGEMENT.html title=Acknowledgements class="md-flex md-footer-nav__link md-footer-nav__link--prev" rel=prev > <div class="md-flex__cell md-flex__cell--shrink"> <i class="md-icon md-icon--arrow-back md-footer-nav__button"></i> </div> <div class="md-flex__cell md-flex__cell--stretch md-footer-nav__title"> <span class=md-flex__ellipsis > <span class=md-footer-nav__direction > "Previous" </span> Acknowledgements </span> </div> </a> <a href=LICENSE.html title=License class="md-flex md-footer-nav__link md-footer-nav__link--next" rel=next > <div class="md-flex__cell md-flex__cell--stretch md-footer-nav__title"><span class=md-flex__ellipsis > <span class=md-footer-nav__direction > "Next" </span> License </span> </div> <div class="md-flex__cell md-flex__cell--shrink"><i class="md-icon md-icon--arrow-forward md-footer-nav__button"></i> </div> </a> </nav> </div> <div class="md-footer-meta md-typeset"> <div class="md-footer-meta__inner md-grid"> <div class=md-footer-copyright > <div class=md-footer-copyright__highlight > © Copyright 2024, Paul Scherrer Institute. </div> Created using <a href="http://www.sphinx-doc.org/">Sphinx</a> 8.1.3. and <a href="https://github.com/bashtage/sphinx-material/">Material for Sphinx</a> </div> </div> </div> </footer> <script src="_static/javascripts/application.js"></script> <script>app.initialize({version: "1.0.4", url: {base: ".."}})</script> |