Table 4. Structure solution and refinement.
| Resolution range (Å) | 48.2130–2.0500 (2.0733–2.0500) |
| Completeness (%) | 98.2 |
| σ Cutoff | F > 1.370σ(F) |
| No. of reflections, working set | 155710 (4957) |
| No. of reflections, test set | 8436 (272) |
| Final R cryst | 0.196 (0.2871) |
| Final R free † | 0.240 (0.3305) |
| No. of non-H atoms | |
| Protein | 17697 |
| AMP-PNP | 248 |
| Ion | 78 |
| Solvent | 1186 |
| Total | 19209 |
| R.m.s. deviations | |
| Bonds (Å) | 0.008 |
| Angles (°) | 1.067 |
| Average B factors (Å2) | |
| Protein | 42.2 |
| AMP-PNP | 49.2 |
| Ion | 43.0 |
| Solvent | 56.9 |
| Ramachandran plot | |
| Most favoured (%) | 96.59 |
| Allowed (%) | 3.06 |
| Outliers (%) | 0.35 |
†
The free R factor was calculated using a randomly selected 5% of reflections omitted from the refinement.