(b).
Refinement. The refinement statistics for CotA and CueO are also indicated. R.m.s.d., root-mean-square deviation.
| McoP | CotA (1gsk) | CueO (1kv7) | |
|---|---|---|---|
| Resolution range () | 26.32.0 | 87.71.7 | 261.4 |
| R/R free ‡ (%) | 20.2/22.4 (21.7/24.2) | 17.7/19.8 | 18.5/22.1 |
| No. of protein atoms | 3425 | 4044 | 3561 |
| No. of water molecules | 218 | 480 | 507 |
| R.m.s.d. | |||
| Bond lengths () | 0.036 | 0.019 | 0.010 |
| Bond angles () | 1.8 | 1.8 | 0.026 |
| Average B factor (2) | 32.3 | 25.9 | 20.3 |
| Ramachandran statistics (%) | |||
| Favoured | 96.3 | 96.6 | 97.2 |
| Allowed | 3.4 | 3.4 | 2.8 |
| Outliers | 0.2 | 0 | 0 |
†
R
merge = 
, where Ii(hkl) is the scaled intensity of the ith observation of reflection hkl, I(hkl) is the mean value and the summation is over all measurements.
‡
R free was calculated with randomly selected reflections (5%).