Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 38.38–1.22 (1.25–1.22) |
| Completeness (%) | 99.9 (98.3) |
| σ Cutoff | None |
| No. of reflections, working set | 35443 |
| No. of reflections, test set | 1820 |
| Final R cryst | 0.148 (0.149) |
| Final R free | 0.171 (0.159) |
| No. of non-H atoms | |
| Protein | 854 |
| Sulfate | 5 |
| Water | 122 |
| Total | 981 |
| R.m.s. deviations | |
| Bonds (Å) | 0.010 |
| Angles (°) | 1.430 |
| Average B factors (Å2) | |
| Protein | 13.731 |
| Sulfate | 14.822 |
| Water | 23.273 |
| Ramachandran plot | |
| Most favoured (%) | 99.1 |
| Allowed (%) | 100 |
| MolProbity score | 0.82 |
| PDB code | 6mws |