Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 37.6–2.90 (2.98–2.90) |
| Completeness (%) | 99.2 (96.0) |
| No. of reflections, working set | 16841 |
| No. of reflections, test set | 1738 |
| Final R cryst | 0.241 (0.317) |
| Final R free | 0.272 (0.368) |
| No. of non-H atoms | |
| Protein | 4234 |
| Ion (sulfate) | 50 |
| Water | 17 |
| Total | 4301 |
| R.m.s. deviations | |
| Bonds (Å) | 0.002 |
| Angles (°) | 0.458 |
| Average B factors (Å2) | |
| Protein | 76 |
| Ion (sulfate) | 91 |
| Water | 63 |
| Ramachandran plot† | |
| Most favored (%) | 92.4 |
| Allowed (%) | 7.6 |
†
Most favored/allowed definitions as determined using MolProbity (Williams et al., 2018 ▸).