Table 4. Structure-solution and refinement statistics.
Values in parentheses are for the outer shell.
Resolution range (Å) | 29.84–1.65 (1.69–1.65) |
Completeness (%) | 95.6 (90.0) |
No. of reflections, working set | 152073 (10298) |
No. of reflections, test set | 1990 (126) |
Final R cryst | 0.164 (0.2534) |
Final R free | 0.186 (0.2450) |
No. of non-H atoms | |
Protein | 8664 |
Buffer components | 32 |
Solvent | 942 |
Total | 9638 |
R.m.s. deviations | |
Bonds (Å) | 0.011 |
Angles (°) | 1.080 |
Average B factors (Å2) | |
Protein | 32.2 |
Buffer components | 40.3 |
Ramachandran plot | |
Most favoured (%) | 98.7 |
Allowed (%) | 0.9 |