Table 2.
Refinement statistics
| Number of nonhydrogen atoms | 5290 |
| Number of water molecules | 306 |
| Average temperature factor (Å2) | 59.5 |
| Resolution rangea (Å) | 25–2.2 |
| R-factora,b (%) | 21.4 (26.1) |
| Number of reflectionsa | 37 320 |
| Rfreea,b (%) | 26.2 (35.0) |
| Number of reflectionsa | 1206 |
| Estimated overall coordinate error | |
| Based on Rfree, Å | 0.219 |
| R.m.s. deviations from ideal values | |
| Bond length (Å) | 0.033 |
| Bond angles (deg) | 2.492 |
| Ramachandran plot (non-Gly, non-Pro residues) (%) | |
| Residues in most favored regions | 86.3 |
| Residues in additionally allowed regions | 13.0 |
| Others | 0.7 |
| aValues for the highest resolution shell are given in parentheses. | |
| bR factor=∑∣∣Fobs∣–∣Fcalc∣∣/∑∣Fobs∣, where Fobs and Fcalc are the observed and calculated structure factors, respectively. | |
| cRfree was calculated for 3% of reflections randomly excluded from the refinement. | |