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. Author manuscript; available in PMC: 2022 Nov 25.
Published in final edited form as: Nature. 2022 Jul 13;609(7926):408–415. doi: 10.1038/s41586-022-04928-2

Extended Data Table 1. X-ray crystallography data collection and refinement statistics.

Metrics from X-ray crystal structure data collection and processing are indicated, including Fourier shell correlation (FSC). *Values in parentheses are for the highest-resolution shell.

APO-SHOC2
(PDB ID: 7T7A)
Data collection
Space group C 121
Cell dimensions
a, b, c (Å) 91.93, 103.03, 121.09
 α, β, γ (°) 90.00, 101.92, 90.00
Resolution (Å) 48.5-1.79(1.85-1.79)*
Rsym or Rmerge 0.091(0.46)
I / σI 11.73(1.3)
Completeness (%) 96.82(94.26)
Redundancy 4.4 (4.5)
Refinement
Resolution (Å) 48.5*1.79
No. reflections 99833(9677)
Rwork / Rfree 0.20(0.30)/0.22(0.32)
No. atoms
 Protein 7748
 Ligand/ion 5
 Water 550
B-factors 40.57
 Protein 40.41
 Ligand/ion 56.69
 Water 42.70
R.m.s. deviations
 Bond lengths (Å) 0.008
 Bond angles (°) 1.01