Table 2. Crystallographic refinement statistics.
| Rcryst† (%) | 20.84 |
| Rfree‡ (%) | 24.69 |
| R.m.s.d.§ bond lengths (Å) | 0.0163 |
| R.m.s.d. angles (°) | 1.583 |
| Mean B (Å2) | 33.1 |
| MolProbity statistics | |
| Ramachandran | |
| Most favoured (%) | 96.2 |
| Allowed (%) | 3.8 |
| Outliers (%) | 0.0 |
| Rotamer outliers (%) | 1.94 |
| Clashscore¶ | 1.97 (100th percentile) |
| Overall score¶ | 1.18 (100th percentile) |
| Overall G factor†† | 0.02 |
R
cryst =
.
R free was calculated with a small fraction (5%) of randomly selected reflections.
Root-mean-square deviation.
The scores are ranked according to structures of similar resolution as formulated in MolProbity.
The overall measure of structure quality from PROCHECK (Laskowski et al., 1993 ▶).