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