Table 1 Crystallographic data and refinement statistics
PDB code | 6ID4 |
|---|---|
Data collection | |
Beamline | Proxima 2A, SOLEIL |
Space group | C2 |
Cell parameters: | |
a, b, c (Å) | 124.56, 215.33, 80.98 |
α, β, γ (°) | 90.00, 92.96, 90.00 |
Resolution (Å) | 45.78–2.40 (2.46–2.40) |
No. of measured reflections | 233,036 (31,084) |
No. of unique reflections | 79,956 (12,545) |
R merge | 0.08 (0.51) |
CC 1/2 | 0.98 (0.56) |
Average I/σ (I) | 6.2 (1.36) |
Completeness (%) | 96.4 (93.6) |
Multiplicity | 2.9 (2.5) |
Refinement | |
Resolution (Å) | 2.4 |
No. reflections | 79,940 |
Rwork / Rfree (%) | 19.7/24.6 |
No. atoms/B-factors | |
Protein atoms | 12,761/61.5 |
Water molecules | 808/54.5 |
PEG | 35/54.6 |
Glycerol | 30/61.5 |
Correlation coefficient Fo/Fc | 0.94 |
R.m.s. deviation | |
Bond lengths (Å) | 0.010 |
Bond angles (°) | 1.23 |
Ramachandran plot (%) | |
Favored | 96.5 |
Allowed | 3.5 |
Outlier | 0 |
