Table 2. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 37.2–1.74 (1.79–1.74) |
| Completeness (%) | 99.5 (98.6) |
| σ Cutoff | −3 |
| No. of reflections, working set | 32447 (2624) |
| No. of reflections, test set | 1712 (141) |
| Final R cryst | 0.170 (0.255) |
| Final R free | 0.192 (0.320) |
| Coordinate error† (Å) | 0.18 |
| No. of non-H atoms | |
| Protein | 1799 |
| Ligand and ions | 27 |
| Water | 224 |
| Total | 2050 |
| R.m.s. deviations | |
| Bonds (Å) | 0.013 |
| Angles (°) | 1.16 |
| Average B factors (Å2) | |
| Protein | 29.5 |
| Ligand and ions | 43.3 |
| Water | 36.7 |
| Ramachandran plot | |
| Most favored (%) | 97 |
| Allowed (%) | 3 |
| MolProbity score‡ | 1.4 |
| Clashscore | 4.4 |