Table II.
Refinement Statistics
| Resolution limits (Å) | 30–2.1 |
| R-factor (overall)%/no. reflectionsa | 19.5/121975 |
| R-factor (working)%/no. reflections | 19.1/115826 |
| R-factor (free)%/no. reflections | 27.4/6149 |
| Number of protein atoms | 15686 |
| Number of heteroatoms | 1012 |
| Average B values | |
| Protein atoms (Å2) | 39.9 |
| Ligand (Å2) | 41.3 |
| Solvent (Å2) | 38.8 |
| Weighted RMS deviations from ideality | |
| Bond lengths (Å) | 0.012 |
| Bond angles (°) | 2.29 |
| Planar groups (Å) | 0.010 |
| Ramachandran regions (%)b | |
| Most favored | 89.1 |
| Additionally allowed | 10.3 |
| Generously allowed | 0.6 |
a
R-factor = (Σ|Fo − Fc|/Σ|Fo|) × 100 where Fo is the observed structure-factor amplitude and Fc. is the calculated structure-factor amplitude.
b
Distribution of Ramachandran angles according to PROCHECK.18