6z9g, P 1 21 1, 120.306 93.815 126.951 / 105.201, 1.76 A, 2300 frames on an
EIGER X 4M (ESRF ID30B; Zenodo 10.5281/zenodo.3874714, CC BY, 12.8 GB).
Its deposited cell is an index-4 superstructure of the sublattice a/2, b, c/2:
four copies of each of two entities, whose NCS pairs superpose as the XOR-closed
trio of near-pure translations (1/2,0,0), (0,0,1/2) and (1/2,0,1/2), rmsd
0.18-0.22 A with 5-9 deg of libration. It is the only such entry among the 283
multi-copy PDB entries that declare a raw-data DOI, and the corpus had no index-4
case at all: every pseudo-translation it carries is index 2 or a setting artefact.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_013nW6FNRP1bBJJ8pfHiByAT
leonarski_fandClaude Opus 5
f2ef7355c8