Table 2. Structure solution and refinement of the OXA-436 crystal structure.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 44.26–1.80 (1.86–1.80) |
| Completeness (%) | 95.90 (93.40) |
| No. of reflections, working set | 94752 (9199) |
| No. of reflections, test set | 4636 (473) |
| Final R cryst | 0.185 (0.395) |
| Final R free | 0.226 (0.425) |
| No. of non-H atoms | |
| Protein | 8013 |
| Ion | 2 |
| Ligand | 30 |
| Water | 1111 |
| Total | 9154 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.013 |
| Angles (°) | 1.12 |
| Average B factors (Å2) | |
| Overall | 21.73 |
| Protein | 20.40 |
| Ion | 33.23 |
| Ligand | 22.62 |
| Water | 31.29 |
| Ramachandran plot | |
| Most favoured (%) | 97.85 |
| Allowed (%) | 2.15 |
| Disallowed (%) | 0.0 |