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. |