Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| PDB code | 5x31 |
| Bragg spacings (Å) | 36.9–2.60 (2.67–2.60) |
| Completeness (%) | 99.3 (99.7) |
| No. of reflections used in refinement | 7369 (534) |
| Final R work | 0.196 (0.245) |
| Final R free | 0.239 (0.279) |
| Cruickshank DPI (Å) | 0.311 |
| No. of non-H atoms | |
| Protein | 1896 |
| Cu | 2 |
| Water | 32 |
| Total | 1930 |
| R.m.s. deviations | |
| Bonds (Å) | 0.028 |
| Angles (°) | 1.96 |
| Average B factors (Å2) | |
| Overall | 24.5 |
| Protein | 24.5 |
| Cu | 20.0 |
| Water | 22.4 |
| Ramachandran plot | |
| Most favoured (%) | 97.2 |
| Allowed (%) | 2.8 |
| Disallowed (%) | 0 |