Table 3. Refinement statistics.
| Refinement | |
| Resolution range (Å) | 25.0–2.7 |
| No. of reflections used for refinement | 19520 |
| No. of reflections used for Rfree | 894 |
| R factor† | 0.234 (0.358) |
| Rfree‡ | 0.273 (0.363) |
| R.m.s. bonds (Å) | 0.007 |
| R.m.s. angles (°) | 1.2 |
| No. of non-H atoms | 4777 plus 4 Ni2+ ions |
| Average B factor (Å2) | 73.2 |
| R.m.s.d. B factor for bonded main-chain atoms (Å2) | 6.3 |
| R.m.s.d. B factor for bonded side-chain atoms (Å2) | 9.3 |
| R.m.s.d. B factor for angle main-chain atoms (Å2) | 10.2 |
| R.m.s.d. B factor for angle side-chain atoms (Å2) | 13.9 |
| Cruickshank DPI (Å) | 0.40 |
| Ramachandran plot (PROCHECK) | |
| Residues in most favored region | 467 (87.8%) |
| Residues in additional allowed regions | 59 (11.1%) |
| Disallowed regions | 3 (0.6%) |
R =
.
R free was calculated using a 5% randomly selected subset of the total number of reflections.