Table 3. Structure-solution and refinement statistics.
Values in parentheses are for the outer shell.
Resolution range (Å) | 61.64–1.84 (1.88–1.84) |
Completeness (%) | 100.0 |
No. of reflections, working set | 53453 (2634) |
No. of reflections, test set | 2857 (130) |
Final R cryst | 0.156 (0.203) |
Final R free | 0.176 (0.215) |
No. of non-H atoms | |
Protein | 3420 |
Solvent | 458 |
Total | 3878 |
R.m.s. deviations | |
Bonds (Å) | 0.008 |
Angles (°) | 1.216 |
Average B factors (Å2) | |
Protein | 28.4 |
Ramachandran plot | |
Most favoured (%) | 98.9 |
Allowed (%) | 100 |