Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 50.0–2.15 (2.204–2.150) |
| Completeness (%) | 98.7 (98.6) |
| No. of reflections, working set | 57741 (3941) |
| No. of reflections, test set | 1968 (139) |
| Final R cryst | 0.164 (0.218) |
| Final R free | 0.216 (0.276) |
| Cruickshank DPI | 0.2392 |
| No. of non-H atoms | |
| Protein | 7226 |
| Nitrate | 76 |
| Cryoprotectant (EDO) | 28 |
| Water | 470 |
| Total | 7800 |
| R.m.s. deviations | |
| Bonds (Å) | 0.007 |
| Angles (°) | 0.865 |
| Average B factors (Å2) | |
| Protein | 43.0 |
| Nitrate | 61.6 |
| Cryoprotectant (EDO) | 56.1 |
| Water | 42.4 |
| Ramachandran plot | |
| Most favored (%) | 98.21 |
| Allowed (%) | 1.16 |