Table 1.
Data collection and refinement statistics
| Data collection statistics | |
|---|---|
| Cell parameters | 157.7 Å; 157.7 Å; 243.2 Å; 90°; 90°; 120° |
| Space group | P65 |
| Wavelength | 0.9394 Å |
| Resolution max. | 2.9 Å |
| Completeness (last shell) | 96.3% (99.3%) |
| Rmerge (last shell) | 9.6% (58.0%) |
| Redundancy | 6.9 |
| 〈I/σI〉 | 10.5 (3.1) |
| Refinement | |
| Resolution range | 40–2.9 Å |
| No. of reflections | 72860 (6732 in test set) |
| R-factor | 24.8% |
| Rfree | 29.5% |
| No. of residues | 2871 |
| No. of ADP | 6 |
| Solvent | 63 |
| Ramachandran plot | |
| Most favoured regions | 81.7% |
| Add. allowed regions | 16.8% |
| Disallowed regions |
0.2% |
| Rmerge=∑hkl∑i∣I(hkl)i−〈I(hkl)〉∣/∑hkl∑iI(hkl)i. | |
| R-factor=∑hkl∣Fo(hkl)−Fc(hkl)∣/∑hkl∣Fo(hkl)∣, where Fo and Fc are observed and calculated structure factors, respectively. | |