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Battery: ten open-arm sets from under-represented facilities and beamlines

Browse Source 
SRS Daresbury PX10.1 (6RYM), EMBL Hamburg DORIS X13 (7BGU), NSLS X29A and X25
(8V4J, 8V2T), ESRF ID14-2 (5JK4), Australian Synchrotron MX2 (6CS9), CLSI 08B1-1
(7UDI), SSRF BL17UM (9LXL), MAX IV BioMAX (9S02), ALBA XALOC (6GVK) - marCCD,
ADSC (Quantum 4/210r/315), PILATUS and EIGER2 files. Each read and processed with
the current rugnux; 7BGU (C2 imposed on a P1 lattice) and 7UDI (P41 under-called
to P2) disagree with the deposition. Multi-sweep archives pinned to one sweep.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01K5K8jvPPbmCrbqnWkddTuB
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leonarski_f
2026-10-04 09:57:45 +02:00
co-authored by Claude Opus 5.5
parent c095b19f3a
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@@ -44,6 +44,7 @@ the table below; the repositories themselves are cited in
| [5EPE](https://www.rcsb.org/structure/5EPE) | IRRMC [10.18430/m3159c](https://doi.org/10.18430/m3159c) | APS 21-ID-G | 1.90 | F 2 3 | 157.5 157.5 157.5 90.0 90.0 90.0 | Rayonix MX-300 | Crystal structure of SAM-dependent methyltransferase from Thiobacillus denitrificans in complex with S-Adenosyl-L-homocysteine |
| [5F6M](https://www.rcsb.org/structure/5F6M) | SBGrid [10.15785/sbgrid/201](https://doi.org/10.15785/sbgrid/201) | SSRL BL11-1 | 1.10 | P 21 21 21 | 54.8 58.5 67.4 90.0 90.0 90.0 | PILATUS 6M | Isotropic Trypsin Model for Comparison of Diffuse Scattering |
| [5J23](https://www.rcsb.org/structure/5J23) | IRRMC [10.18430/M35J23](https://doi.org/10.18430/M35J23) | APS 21-ID-G | 2.30 | H 3 | 175.8 175.8 136.8 90.0 90.0 120.0 | Rayonix MX-300 | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with 2'-phospho-ADP-ribose |
| [5JK4](https://www.rcsb.org/structure/5JK4) | Zenodo [10.5281/zenodo.49859](https://doi.org/10.5281/zenodo.49859) | ESRF ID14-2 | 1.10 | P 1 21 1 | 37.7 77.9 56.3 90.0 102.1 90.0 | ADSC Quantum 4 | Phosphate-Binding Protein from Stenotrophomonas maltophilia. |
| [5JVN](https://www.rcsb.org/structure/5JVN) | IRRMC [10.18430/m35jvn](https://doi.org/10.18430/m35jvn) | ESRF ID29 | 2.90 | P 6 2 2 | 249.4 249.4 84.1 90.0 90.0 120.0 | PILATUS3 6M | C3-type pyruvate phosphate dikinase: intermediate state of the swiveling-domain mechanism |
| [5KY6](https://www.rcsb.org/structure/5KY6) | MXRDR [10.18150/repod.1494374](https://doi.org/10.18150/repod.1494374) | BESSY 14.2 | 1.94 | P 1 21 1 | 84.5 57.3 164.0 90.0 102.6 90.0 | marCCD, 225 mm plate | Human muscle fructose-1,6-bisphosphate aldolase |
| [5LZL](https://www.rcsb.org/structure/5LZL) | Zenodo [10.5281/zenodo.54757](https://doi.org/10.5281/zenodo.54757) | Diamond I02 | 3.47 | P 31 2 1 | 205.6 205.6 199.2 90.0 90.0 120.0 | PILATUS 6M-F | Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase |
@@ -57,11 +58,13 @@ the table below; the repositories themselves are cited in
| [5VML](https://www.rcsb.org/structure/5VML) | IRRMC [10.18430/M35VML](https://doi.org/10.18430/M35VML) | Home source, Rigaku FR-E+ SuperBright | 1.70 | P 42 21 2 | 66.3 66.3 115.3 90.0 90.0 90.0 | Rigaku Saturn 944+ | Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b with bound NADP |
| [6CDL](https://www.rcsb.org/structure/6CDL) | IRRMC [10.18430/m36cdl](https://doi.org/10.18430/m36cdl) | APS 22-ID | 1.25 | P 21 21 2 | 58.3 85.9 46.1 90.0 90.0 90.0 | marCCD, 300 mm plate | 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 |
| [6CEE](https://www.rcsb.org/structure/6CEE) | IRRMC [10.18430/M36CEE](https://doi.org/10.18430/M36CEE) | Home source, Rigaku FR-E SuperBright | 1.55 | P 21 21 21 | 40.7 44.1 55.9 90.0 90.0 90.0 | Rigaku Saturn A200 | 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 |
| [6CS9](https://www.rcsb.org/structure/6CS9) | SBGrid [10.15785/SBGRID/568](https://doi.org/10.15785/SBGRID/568) | Australian Synchrotron MX2 | 1.85 | P 1 21 1 | 32.9 25.5 40.2 90.0 98.6 90.0 | ADSC Quantum 210r | Crystal structure of human beta-defensin 2 in complex with PIP2 |
| [6F3P](https://www.rcsb.org/structure/6F3P) | IRRMC [10.18430/M36F3P](https://doi.org/10.18430/M36F3P) | APS 22-ID | 1.35 | C 1 2 1 | 142.9 85.7 112.0 90.0 122.2 90.0 | marCCD, 300 mm plate | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa in complex with 3'-deoxyadenosine and K+ cation |
| [6FID](https://www.rcsb.org/structure/6FID) | SBGrid [10.15785/sbgrid/541](https://doi.org/10.15785/sbgrid/541) | ESRF ID30B | 2.20 | P 21 21 21 | 59.9 64.1 69.7 90.0 90.0 90.0 | PILATUS3 6M | Bovine trypsin solved by S-SAD on ID30B |
| [6FVZ](https://www.rcsb.org/structure/6FVZ) | IRRMC [10.18430/m36fvz](https://doi.org/10.18430/m36fvz) | ESRF ID23-2 | 1.80 | C 2 2 2 | 131.2 222.8 86.5 90.0 90.0 90.0 | PILATUS3 X 2M | Crystal structure of human monoamine oxidase B (MAO B) in complex with an inhibitor |
| [6FWC](https://www.rcsb.org/structure/6FWC) | IRRMC [10.18430/m36fwc](https://doi.org/10.18430/m36fwc) | ESRF MASSIF-3 | 1.70 | C 2 2 2 | 131.7 222.1 86.3 90.0 90.0 90.0 | PILATUS 2MF | Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide |
| [6G1F](https://www.rcsb.org/structure/6G1F) | Zenodo [10.5281/zenodo.1059413](https://doi.org/10.5281/zenodo.1059413) | Diamond I03 | 2.25 | C 1 2 1 | 329.3 83.9 133.4 90.0 111.6 90.0 | PILATUS3 6M | Crystal structure of D-phenylglycine aninotransferase (D-PhgAT) from Pseudomonas stutzeri with PLP internal aldimine |
| [6GVK](https://www.rcsb.org/structure/6GVK) | Zenodo [10.5281/zenodo.1286854](https://doi.org/10.5281/zenodo.1286854) | ALBA XALOC | 1.55 | C 1 2 1 | 105.6 59.5 42.4 90.0 113.5 90.0 | PILATUS 6M | Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e) |
| [6H2P](https://www.rcsb.org/structure/6H2P) | IRRMC [10.18430/m36h2p](https://doi.org/10.18430/m36h2p) | BESSY 14.1 | 1.48 | C 2 2 21 | 103.5 107.1 216.5 90.0 90.0 90.0 | PILATUS 6M | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate ligand |
| [6H5T](https://www.rcsb.org/structure/6H5T) | IRRMC [10.18430/m36h5t](https://doi.org/10.18430/m36h5t) | BESSY 14.3 | 1.69 | I 4 2 2 | 86.8 86.8 141.8 90.0 90.0 90.0 | marCCD, 225 mm plate | Intersectin SH3A short isoform |
| [6HV2](https://www.rcsb.org/structure/6HV2) | IRRMC [10.18430/m36hv2](https://doi.org/10.18430/m36hv2) | SLS X06SA | 1.71 | P 61 2 2 | 68.9 68.9 133.6 90.0 90.0 120.0 | Dectris Eiger 16M | MMP-13 in complex with the peptide IMISF |
@@ -85,6 +88,7 @@ the table below; the repositories themselves are cited in
| [6QAJ](https://www.rcsb.org/structure/6QAJ) | SBGrid [10.15785/sbgrid/637](https://doi.org/10.15785/sbgrid/637) | Diamond I03 | 2.90 | C 2 2 21 | 59.8 169.3 374.5 90.0 90.0 90.0 | PILATUS3 6M | Structure of the tripartite motif of KAP1/TRIM28 |
| [6R72](https://www.rcsb.org/structure/6R72) | Zenodo [10.5281/zenodo.14894181](https://doi.org/10.5281/zenodo.14894181) | SOLEIL PROXIMA 2 | 3.95 | P 1 21 1 | 117.8 110.8 155.6 90.0 93.2 90.0 | Dectris Eiger 9M | Crystal structure of BmrA-E504A in an outward-facing conformation |
| [6RLR](https://www.rcsb.org/structure/6RLR) | Zenodo [10.5281/zenodo.5886687](https://doi.org/10.5281/zenodo.5886687) | Diamond I04 | 2.00 | P 1 | 40.0 40.0 63.6 80.4 76.3 68.2 | Eiger 16M | Crystal structure of CD9 large extracellular loop |
| [6RYM](https://www.rcsb.org/structure/6RYM) | Keele University [10.21252/xbsq-d621](https://doi.org/10.21252/xbsq-d621) | SRS PX10.1 (Daresbury) | 1.46 | P 43 | 50.2 50.2 51.9 90.0 90.0 90.0 | marCCD 165 mm | Structure of carbohydrate recognition domain with GlcNAc bound |
| [6S1U](https://www.rcsb.org/structure/6S1U) | MXRDR [10.18150/repod.0005795](https://doi.org/10.18150/repod.0005795) | BESSY 14.2 | 1.90 | P 1 21 1 | 51.6 29.4 85.5 90.0 103.8 90.0 | marCCD, 225 mm plate | Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor |
| [6TOC](https://www.rcsb.org/structure/6TOC) | Zenodo [10.5281/zenodo.3571040](https://doi.org/10.5281/zenodo.3571040) | SLS X06DA | 1.85 | P 42 | 31.5 31.5 81.6 90.0 90.0 90.0 | PILATUS 2MF | Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 3). |
| [6TTN](https://www.rcsb.org/structure/6TTN) | IRRMC [10.18430/m36ttn](https://doi.org/10.18430/m36ttn) | BESSY 14.1 | 1.12 | P 21 21 21 | 39.9 79.8 104.7 90.0 90.0 90.0 | PILATUS 6M | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine |
@@ -105,6 +109,7 @@ the table below; the repositories themselves are cited in
| [7ARR](https://www.rcsb.org/structure/7ARR) | MXRDR [10.18150/EM87YL](https://doi.org/10.18150/EM87YL) | PETRA III, EMBL c/o DESY P13 (MX1) | 1.10 | P 1 | 30.9 32.1 43.1 114.2 91.9 109.9 | PILATUS 6M-F | The de novo designed hybrid alpha/beta-miniprotein |
| [7ATG](https://www.rcsb.org/structure/7ATG) | IRRMC [10.18430/m37atg](https://doi.org/10.18430/m37atg) | PETRA III, EMBL c/o DESY P13 (MX1) | 0.60 | P 21 21 21 | 18.0 31.0 43.9 90.0 90.0 90.0 | PILATUS 6M-F | Crystal structure of Z-DNA in complex with putrescinium and potassium cations at ultrahigh-resolution |
| [7BGT](https://www.rcsb.org/structure/7BGT) | MXRDR [10.18150/1HQGWO](https://doi.org/10.18150/1HQGWO) | BESSY 14.2 | 1.93 | P 1 | 29.3 67.6 69.7 76.8 83.9 83.6 | marCCD, 225 mm plate | Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor |
| [7BGU](https://www.rcsb.org/structure/7BGU) | MXRDR [10.18150/C9DYSH](https://doi.org/10.18150/C9DYSH) | EMBL/DESY Hamburg (DORIS) X13 | 2.43 | P 1 | 29.1 67.9 69.7 77.1 83.3 83.2 | marCCD 165 mm | Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor |
| [7D1M](https://www.rcsb.org/structure/7D1M) | IRRMC [10.18430/m37brr](https://doi.org/10.18430/m37brr) | SSRF BL17U1 | 1.35 | P 1 21 1 | 55.5 99.0 59.6 90.0 108.5 90.0 | Dectris Eiger 16M | CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376 |
| [7DKP](https://www.rcsb.org/structure/7DKP) | IRRMC [10.18430/M37DKP](https://doi.org/10.18430/M37DKP) | ESRF MASSIF-3 | 1.45 | P 1 21 1 | 49.8 169.5 49.8 90.0 93.5 90.0 | Dectris Eiger 4M | Crystal structure of E. coli Grx2 in complex with GSH at 1.45 A resolution |
| [7K1L](https://www.rcsb.org/structure/7K1L) | IRRMC [10.18430/m37k1l](https://doi.org/10.18430/m37k1l) | APS 19-ID | 2.25 | P 63 | 150.8 150.8 110.7 90.0 90.0 120.0 | PILATUS3 6M | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate |
@@ -126,6 +131,7 @@ the table below; the repositories themselves are cited in
| [7RJI](https://www.rcsb.org/structure/7RJI) | IRRMC [10.18430/M37RJI](https://doi.org/10.18430/M37RJI) | LNLS W01B-MX2 | 1.71 | H 3 2 | 83.0 83.0 124.8 90.0 90.0 120.0 | PILATUS 2M | BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid |
| [7T5T](https://www.rcsb.org/structure/7T5T) | SBGrid [10.15785/sbgrid/864](https://doi.org/10.15785/sbgrid/864) | SSRL BL9-2 | 1.35 | P 42 21 2 | 95.3 95.3 104.9 90.0 90.0 90.0 | PILATUS 6M | Structure of Thauera sp. K11 CapP |
| [7TCD](https://www.rcsb.org/structure/7TCD) | IRRMC [10.18430/m37tcd](https://doi.org/10.18430/m37tcd) | SLS X06SA | 1.70 | C 1 2 1 | 138.5 47.9 78.1 90.0 107.6 90.0 | Dectris Eiger 16M | LOV2-DARPIN fusion: D13 |
| [7UDI](https://www.rcsb.org/structure/7UDI) | Zenodo [10.5281/zenodo.10022358](https://doi.org/10.5281/zenodo.10022358) | CLSI 08B1-1 | 2.24 | P 41 | 66.7 66.7 129.6 90.0 90.0 90.0 | PILATUS3 S 6M | Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans |
| [7YZX](https://www.rcsb.org/structure/7YZX) | IRRMC [10.18430/M37YZX](https://doi.org/10.18430/M37YZX) | Diamond I24 | 1.90 | P 63 2 2 | 169.4 169.4 141.8 90.0 90.0 120.0 | PILATUS3 6M | ScpA from Streptococcus pyogenes, D783A mutant. |
| [8A1A](https://www.rcsb.org/structure/8A1A) | IRRMC [10.18430/M38A1A](https://doi.org/10.18430/M38A1A) | SLS X06SA | 2.05 | P 65 | 191.9 191.9 122.4 90.0 90.0 120.0 | Dectris Eiger 16M | Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct |
| [8AGQ](https://www.rcsb.org/structure/8AGQ) | IRRMC [10.18430/M38AGQ](https://doi.org/10.18430/M38AGQ) | SLS X06DA | 1.09 | C 1 2 1 | 89.9 55.4 54.8 90.0 113.5 90.0 | PILATUS 2MF | Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione |
@@ -152,6 +158,8 @@ the table below; the repositories themselves are cited in
| [8THA](https://www.rcsb.org/structure/8THA) | IRRMC [10.18430/m38tha](https://doi.org/10.18430/m38tha) | SSRL BL9-2 | 1.68 | P 64 | 69.2 69.2 29.1 90.0 90.0 120.0 | PILATUS 6M | 1TEL, non-compressed, double-helical crystal form |
| [8TYY](https://www.rcsb.org/structure/8TYY) | SBGrid [10.15785/sbgrid/1040](https://doi.org/10.15785/sbgrid/1040) | APS 24-ID-E | 1.68 | F 4 3 2 | 214.9 214.9 214.9 90.0 90.0 90.0 | Dectris Eiger 16M | Structure of a bacterial Ubl-deubiquitinase complex (form 2) |
| [8U0I](https://www.rcsb.org/structure/8U0I) | IRRMC [10.18430/m38u0i](https://doi.org/10.18430/m38u0i) | ALS 8.2.1 | 1.54 | P 43 21 2 | 50.3 50.3 90.6 90.0 90.0 90.0 | Dectris EIGER2 Si 9M | Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa |
| [8V2T](https://www.rcsb.org/structure/8V2T) | Zenodo [10.5281/zenodo.10201899](https://doi.org/10.5281/zenodo.10201899) | NSLS X25 | 1.40 | P 42 21 2 | 60.9 60.9 92.7 90.0 90.0 90.0 | PILATUS 6M | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 |
| [8V4J](https://www.rcsb.org/structure/8V4J) | Zenodo [10.5281/zenodo.10222807](https://doi.org/10.5281/zenodo.10222807) | NSLS X29A | 1.31 | P 42 21 2 | 61.0 61.0 92.4 90.0 90.0 90.0 | ADSC Quantum 315 | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 |
| [8V4O](https://www.rcsb.org/structure/8V4O) | IRRMC [10.18430/m38v4o](https://doi.org/10.18430/m38v4o) | NSLS-II 19-ID | 2.70 | P 61 2 2 | 139.5 139.5 545.0 90.0 90.0 120.0 | Dectris EIGER2 Si 9M | Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP from Candida albicans |
| [8XBP](https://www.rcsb.org/structure/8XBP) | IRRMC [10.18430/M38XBP](https://doi.org/10.18430/M38XBP) | SOLEIL PROXIMA 1 | 1.99 | C 1 2 1 | 148.3 50.8 60.2 90.0 92.3 90.0 | Dectris Eiger 16M | Crystal structure of AtNATA1 bound to Acetyl CoA |
| [8XTE](https://www.rcsb.org/structure/8XTE) | SBGrid [10.15785/sbgrid/1101](https://doi.org/10.15785/sbgrid/1101) | SSRF BL19U1 | 1.99 | P 32 | 208.8 208.8 67.2 90.0 90.0 120.0 | PILATUS3 6M | Crystal structure of methyltransferase MpaG' in complex with SAH and FDHMP |
@@ -182,6 +190,7 @@ the table below; the repositories themselves are cited in
| [9JQ9](https://www.rcsb.org/structure/9JQ9) | IRRMC [10.18430/M39JQ9](https://doi.org/10.18430/M39JQ9) | Home source, Excillum MetalJet D2+ | 1.90 | P 21 21 21 | 48.6 50.5 78.6 90.0 90.0 90.0 | PILATUS3 1M | Crystal structure of Plasmoredoxin from Plasmodium falciparum a disulfide oxidoreductase protein unique to Plasmodium species |
| [9JZO](https://www.rcsb.org/structure/9JZO) | IRRMC [10.18430/m39jzo](https://doi.org/10.18430/m39jzo) | PAL/PLS 11C | 1.40 | P 1 | 41.6 43.1 54.2 113.0 90.1 118.2 | PILATUS3 6M | Crystal structure of PHICD111_20024_EAD. |
| [9KHR](https://www.rcsb.org/structure/9KHR) | Zenodo [10.5281/zenodo.14070468](https://doi.org/10.5281/zenodo.14070468) | RRCAT INDUS-2 PX-BL21 | 2.00 | P 21 21 21 | 48.7 50.3 78.0 90.0 90.0 90.0 | marCCD, 225 mm plate | Crystal structure of Plasmoredoxin, a disulfide oxidoreductase from Plasmodium falciparum crystallized in the presence of Dithiothreitol (DTT) |
| [9LXL](https://www.rcsb.org/structure/9LXL) | Zenodo [10.5281/zenodo.15005358](https://doi.org/10.5281/zenodo.15005358) | SSRF BL17UM | 2.19 | P 41 21 2 | 76.8 76.8 225.3 90.0 90.0 90.0 | EIGER2 S 16M | Crystal structure of GH29 family alpha-L-fucosidase from Fusarium proliferatum LE1 |
| [9MH4](https://www.rcsb.org/structure/9MH4) | IRRMC [10.18430/M39MH4](https://doi.org/10.18430/M39MH4) | NSLS-II 19-ID | 3.05 | P 21 3 | 138.7 138.7 138.7 90.0 90.0 90.0 | Dectris EIGER2 Si 9M | Crystal Structure of Bifunctional protein GlmU from Klebsiella aerogenes |
| [9MIN](https://www.rcsb.org/structure/9MIN) | SBGrid [10.15785/sbgrid/1151](https://doi.org/10.15785/sbgrid/1151) | ALS 8.2.1 | 2.05 | P 21 21 21 | 95.5 98.5 155.7 90.0 90.0 90.0 | Dectris EIGER2 Si 9M | Structure of a designed minibinder to NYESO1-A*02:01 |
| [9O0H](https://www.rcsb.org/structure/9O0H) | IRRMC [10.18430/M39O0H](https://doi.org/10.18430/M39O0H) | SSRL BL12-2 | 2.24 | P 21 21 21 | 55.2 65.5 112.9 90.0 90.0 90.0 | Dectris EIGER2 Si 16M | The ubiquitin-associated domain of human thirty-eight negative kinase 1, fused to the 3TEL crystallization chaperone via a 2-glycine linker |
@@ -193,6 +202,7 @@ the table below; the repositories themselves are cited in
| [9RCI](https://www.rcsb.org/structure/9RCI) | Zenodo [10.5281/zenodo.15615368](https://doi.org/10.5281/zenodo.15615368) | SOLEIL PROXIMA 2 | 1.66 | P 1 | 35.9 39.3 100.9 98.3 90.3 90.1 | Dectris Eiger 9M | Crystal Structure of Flap Endonuclease FEN1 with Compound 28 |
| [9RCS](https://www.rcsb.org/structure/9RCS) | XRDa [10.51093/xrd-00383](https://doi.org/10.51093/xrd-00383) | Diamond I24 | 3.01 | P 1 21 1 | 70.0 78.8 82.3 90.0 88.6 90.0 | Eiger 9M | Cardioderma bat coronavirus KY43 receptor binding domain in complex with human CEACAM6 |
| [9RP9](https://www.rcsb.org/structure/9RP9) | IRRMC [10.18430/M39RP9](https://doi.org/10.18430/M39RP9) | SOLEIL PROXIMA 1 | 2.10 | C 1 2 1 | 73.5 59.8 91.7 90.0 100.8 90.0 | Dectris Eiger 16M | Crystal structure of mouse pVHL-ElonginB-ElonginC complex |
| [9S02](https://www.rcsb.org/structure/9S02) | MXRDR [10.60884/NRNGS4](https://doi.org/10.60884/NRNGS4) | MAX IV BioMAX | 1.65 | P 21 21 2 | 163.7 88.0 116.7 90.0 90.0 90.0 | EIGER2 X 16M | PYCR1 in complex with 3-(2-thiazolyl)propionic acid |
| [9SL0](https://www.rcsb.org/structure/9SL0) | IRRMC [10.18430/M39SL0](https://doi.org/10.18430/M39SL0) | ESRF MASSIF-1 | 1.60 | P 21 21 21 | 60.2 80.2 111.6 90.0 90.0 90.0 | Dectris EIGER2 Si 9M | Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAV |
| [9T6S](https://www.rcsb.org/structure/9T6S) | SBGrid [10.15785/sbgrid/1260](https://doi.org/10.15785/sbgrid/1260) | ESRF ID30B | 2.00 | P 21 21 21 | 63.0 64.6 102.7 90.0 90.0 90.0 | Dectris EIGER2 Si 9M | Crystal Structure of the Listeria monocytogenes CadC with Cadmium |
| [9UPT](https://www.rcsb.org/structure/9UPT) | XRDa [10.51093/xrd-00191](https://doi.org/10.51093/xrd-00191) | NSRRC TPS 05A | 2.37 | P 6 | 158.3 158.3 54.0 90.0 90.0 120.0 | SMV, S/N 930 | Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus |
@@ -206,13 +216,6 @@ the table below; the repositories themselves are cited in
| [9ZLO](https://www.rcsb.org/structure/9ZLO) | Zenodo [10.5281/zenodo.18652652](https://doi.org/10.5281/zenodo.18652652) | Australian Synchrotron MX2 | 2.00 | P 21 21 21 | 38.4 90.0 107.0 90.0 90.0 90.0 | Dectris EIGER1 Si 16M | Crystal structure of Proteus mirabilis UreE |
| [9ZM0](https://www.rcsb.org/structure/9ZM0) | IRRMC [10.18430/M39ZM0](https://doi.org/10.18430/M39ZM0) | NSLS-II 17-ID-1 | 2.10 | P 1 21 1 | 50.4 30.1 91.2 90.0 97.1 90.0 | Dectris EIGER1 Si 9M | Crystal structure of monomeric Atg23 |
| [9ZMU](https://www.rcsb.org/structure/9ZMU) | IRRMC [10.18430/M39ZMU](https://doi.org/10.18430/M39ZMU) | NSLS-II 19-ID | 1.98 | P 65 2 2 | 47.8 47.8 492.6 90.0 90.0 120.0 | Dectris EIGER2 Si 9M | Crystal structure of an Iole protein from Brucella melitensis (hexagonal P form) |
| — | Zenodo [10.5281/zenodo.1036416](https://doi.org/10.5281/zenodo.1036416) | Diamond Light Source I19-1 | | | | PILATUS 2M | 0.48 Angstrom 3,5-dinitrobenzoic acid (3,5-DNBA) C2/c polymorph single crystal X-ray diffraction data set recorded at Diamond Light Source I19-1 |
| — | Zenodo [10.5281/zenodo.14894181](https://doi.org/10.5281/zenodo.14894181) | | | | | Dectris Eiger 9M | Dataset for PDB 6r72 Crystal structure of BmrA-E504A in an outward-facing conformation |
| — | Zenodo [10.5281/zenodo.20041091](https://doi.org/10.5281/zenodo.20041091) | Diamond Light Source I19-2 | | | | Eiger 2X 4M (CdTe) | Single-crystal X-ray diffractometry data for a sample of Ni(dppe)Cl₂ collected on beamline I19-2 at Diamond Light Source with an Eiger 2X 4M with CdTe sensor |
| — | Zenodo [10.5281/zenodo.20135265](https://doi.org/10.5281/zenodo.20135265) | Diamond Light Source I19-2 | | | | Eiger 2X 4M (CdTe) | Single-crystal X-ray diffractometry data for a sample of metformin collected on beamline I19-2 at Diamond Light Source with an Eiger 2X 4M with CdTe sensor |
| — | Zenodo [10.5281/zenodo.6347466](https://doi.org/10.5281/zenodo.6347466) | Diamond Light Source I19-2 | | | | Eiger 2X 4M (CdTe) | Single-crystal X-ray diffractometry data for a sample of [Cu(HF₂)(pyrazine)₂]PF₆ collected on beamline I19-2 at Diamond Light Source |
| — | Zenodo [10.5281/zenodo.33555](https://doi.org/10.5281/zenodo.33555) | Diamond Light Source I19-1 | | | | PILATUS 2M | Example Cytidine data set from I19-1 at Diamond Light Source |
| — | Zenodo [10.5281/zenodo.11946282](https://doi.org/10.5281/zenodo.11946282) | Diamond Light Source I19 | | | | PILATUS 2M | RODIN X-ray Diffraction Data 2360282 (L-alanine) |
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
@@ -259,6 +262,15 @@ the `phi` value in the image header.
| 8DZ7 | 2 | 4 | 200 frames per crystal |
| 6O2H | 4 | 1, 3, 2, 5 - 11 in all | 50, 145, 95, 235 frames, one per crystal |
**Four archives added for facility coverage hold more than one sweep.** 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 `sweep2/` 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 (`jmp47a2_1`, 70 frames; `jmp47a2_2`, 60
frames); the row is the first. 6GVK's Zenodo record has three tarballs (`set1`-`set3`); only
`set1` (1800 miniCBF frames) was downloaded and is the row.
**Seven IRRMC archives hold more than one collection.** 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.
@@ -337,7 +349,7 @@ plate`), the comment's name where one is present (`Rayonix MX-300`), or the seri
## Deposited models and structure factors
174 of the 181 datasets have a released PDB entry, and RCSB
184 of the 191 datasets have a released PDB entry, and RCSB
reports released structure factors (`status_code_sf = REL`) for every one of them. A merged
result from this pipeline can therefore be checked against the deposited model or against the
deposited intensities.
@@ -511,18 +523,18 @@ symmetries rather than to be easy to process. The counts below describe where it
like everything else on this page, they are metadata about the depositions and their files, not
measurements.
- **Repository:** IRRMC 94, SBGrid 35, Zenodo 28, MXRDR 14, ESRF 3, Keele University 3, XRDa 3,
- **Repository:** IRRMC 94, SBGrid 36, Zenodo 34, MXRDR 16, Keele University 4, ESRF 3, XRDa 3,
UQ eSpace 1.
- **Facility** - 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 170 rows that
name one: APS 26, Diamond 20, ESRF 16, NSLS-II 14, BESSY 12, PETRA III 12, SSRL 11, ALS 8,
SLS 7, SOLEIL 7, SPring-8 7, SSRF 6, PAL/PLS 5, CHESS 4, CLSI 3, ALBA 2, Australian
Synchrotron 2, ELETTRA 2, LNLS 2, and one each from MAX IV, NSRRC, Photon Factory and RRCAT
Indus-2 - 23 facilities. The other ten rows were collected on laboratory sources: nine on
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.
- **Crystal system, from the deposited space group of the 174 PDB-coded rows:** orthorhombic 45,
monoclinic 41, tetragonal 25, trigonal 21, hexagonal 17, cubic 13, triclinic 12.
- **Pink beam:** none of these datasets was collected with pink beam. All 174 PDB-coded rows
- **Crystal system, from the deposited space group of the 184 PDB-coded rows:** orthorhombic 46,
monoclinic 44, tetragonal 30, trigonal 21, hexagonal 17, cubic 13, triclinic 13.
- **Pink beam:** none of these datasets was collected with pink beam. All 184 PDB-coded rows
are deposited as `SINGLE WAVELENGTH` (`_diffrn_radiation.pdbx_diffrn_protocol`), and all
but 5REO, which leaves the field blank, as monochromatic (`pdbx_monochromatic_or_laue_m_l`
`M`); 9Q41 is the one row recorded with a multilayer rather than a crystal monochromator
tools/battery/open.json
+11 -1
View File
@@ -179,5 +179,15 @@
{"id": "9fcf", "input": "9fcf/IBCH-05-p03x03_3_00001.cbf.gz", "wavelength": 0.97626, "ref": {"sg": "P 4", "sgno": 75, "cell": [91.301, 91.301, 35.836, 90.0, 90.0, 90.0], "dmin": 2.36}, "tags": ["cbf"]},
{"id": "9h0q", "input": "9h0q/Bc2lCnter-pma127_2_master.h5", "wavelength": 0.97857, "ref": {"sg": "H 3 2", "sgno": 155, "cell": [169.506, 169.506, 344.036, 90.0, 90.0, 120.0], "dmin": 2.55}, "tags": ["h5"]},
{"id": "5ky6", "input": "5ky6/C11_1_001.img", "wavelength": 0.91841, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [84.511, 57.253, 164.016, 90.0, 102.57, 90.0], "dmin": 1.941}, "tags": ["marccd"]},
{"id": "6z9g", "input": "6z9g/HASE01-ga1o2_w1_2_1_master.h5", "wavelength": 0.9677, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [120.306, 93.815, 126.951, 90.0, 105.201, 90.0], "dmin": 1.76}, "tags": ["h5", "tncs"]}
{"id": "6z9g", "input": "6z9g/HASE01-ga1o2_w1_2_1_master.h5", "wavelength": 0.9677, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [120.306, 93.815, 126.951, 90.0, 105.201, 90.0], "dmin": 1.76}, "tags": ["h5", "tncs"]},
{"id": "6rym", "input": "6rym/6RYM/jmp47a2_1_001.img", "wavelength": 1.488, "ref": {"sg": "P 43", "sgno": 78, "cell": [50.225, 50.225, 51.925, 90.0, 90.0, 90.0], "dmin": 1.46}, "tags": ["smv", "tetragonal"], "pinned": true},
{"id": "7bgu", "input": "7bgu/mpmv_01001.mccd", "wavelength": 0.815, "ref": {"sg": "P 1", "sgno": 1, "cell": [29.068, 67.893, 69.739, 77.07, 83.34, 83.18], "dmin": 2.433}, "tags": ["marCCD", "triclinic"], "pinned": true},
{"id": "8v4j", "input": "8v4j/data/CB1_3_3_001.img", "wavelength": 1.075, "ref": {"sg": "P 42 21 2", "sgno": 94, "cell": [60.972, 60.972, 92.429, 90.0, 90.0, 90.0], "dmin": 1.31}, "tags": ["smv", "tetragonal"]},
{"id": "8v2t", "input": "8v2t/data/MJ504_2_3_00001.cbf", "wavelength": 1.1, "ref": {"sg": "P 42 21 2", "sgno": 94, "cell": [60.906, 60.906, 92.728, 90.0, 90.0, 90.0], "dmin": 1.402}, "tags": ["cbf", "tetragonal"]},
{"id": "5jk4", "input": "5jk4/dioxyhipeg/dioxyhipeg_1_001.img", "wavelength": 0.933, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [37.729, 77.856, 56.287, 90.0, 102.08, 90.0], "dmin": 1.1}, "tags": ["smv", "monoclinic"], "pinned": true},
{"id": "6cs9", "input": "6cs9/568/HBD2D7_2_1_001.img", "wavelength": 0.9537, "ref": {"sg": "P 1 21 1", "sgno": 4, "cell": [32.871, 25.538, 40.17, 90.0, 98.64, 90.0], "dmin": 1.85}, "tags": ["smv", "monoclinic"]},
{"id": "7udi", "input": "7udi/data/MJ7121_0001.cbf", "wavelength": 0.9795, "ref": {"sg": "P 41", "sgno": 76, "cell": [66.698, 66.698, 129.581, 90.0, 90.0, 90.0], "dmin": 2.24}, "tags": ["cbf", "tetragonal"]},
{"id": "9lxl", "input": "9lxl/6/1_T10Y-FFp-PNPI_6_master.h5", "wavelength": 0.97919, "ref": {"sg": "P 41 21 2", "sgno": 92, "cell": [76.757, 76.757, 225.338, 90.0, 90.0, 90.0], "dmin": 2.191}, "tags": ["h5", "tetragonal"]},
{"id": "9s02", "input": "9s02/PYCR1-D11_1_master.h5", "wavelength": 0.97625, "ref": {"sg": "P 21 21 2", "sgno": 18, "cell": [163.674, 88.042, 116.731, 90.0, 90.0, 90.0], "dmin": 1.65}, "tags": ["h5", "orthorhombic"]},
{"id": "6gvk", "input": "6gvk/212_3_0001.cbf", "wavelength": 0.97915, "ref": {"sg": "C 1 2 1", "sgno": 5, "cell": [105.58, 59.52, 42.4, 90.0, 113.5, 90.0], "dmin": 1.55}, "tags": ["cbf", "monoclinic"], "pinned": true}
]}