Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 72.21–2.22 (2.30–2.22) |
| Completeness (%) (spherical) | 66.6 (3.4) |
| No. of reflections, working set | 38052 (203) |
| No. of reflections, test set | 1830 (11) |
| Final R cryst | 0.21 (0.26) |
| Final R free | 0.26 (0.38) |
| No. of non-H atoms | |
| Total | 6813 |
| Protein | 6762 |
| Water | 51 |
| R.m.s. deviations | |
| Bonds (Å) | 0.003 |
| Angles (°) | 0.55 |
| Average B factors (Å2) | |
| Protein | 60.0 |
| Water | 46.5 |
| Ramachandran plot | |
| Most favoured (%) | 97.16 |
| Allowed (%) | 2.73 |
| MolProbity score | 1.28 |