Table 2. Summary of data-refinement statistics for native HpxW.
| Resolution (Å) | 2.7 |
| No. of protein atoms | 6380 |
| No. of ligand atoms | 0 |
| No. of water atoms | 0 |
| Reflections in working set | 37226 |
| Reflections in test set | 1964 |
| R factor† (%) | 25.7 |
| R free ‡ (%) | 29.8 |
| R.m.s.d. from ideal | |
| Bond lengths (Å) | 0.008 |
| Angles (°) | 1.065 |
| Average B factor (Å2) | 47.9 |
| Ramachandran plot | |
| Favored (%) | 94.98 |
| Allowed (%) | 4.44 |
| Disallowed (%) | 0.58 |
R factor =
, where F
obs and F
calc are observed and calculated structure factors, respectively.
For R free the sum is extended over a subset of reflections (5%) that were excluded from all stages of refinement.