Table 4. Structure refinement.
Resolution range (Å) | 44.99–2.25 (2.31–2.25) |
Completeness (%) | 99.2 |
σ Cutoff | F > 1.34σ(F) |
No. of reflections, working set | 27834 (1787) |
No. of reflections, test set | 2028 (156) |
Final R cryst | 0.181 (0.275) |
Final R free | 0.228 (0.374) |
No. of non-H atoms | |
Protein | 4694 |
Ion | 3 |
Ligand | 0 |
Water | 65 |
Total | 4762 |
R.m.s. deviations | |
Bond lengths (Å) | 0.004 |
Angles (°) | 0.683 |
Average B factors (Å2) | |
Protein | 61.8 |
Ion | 69.5 |
Ligand | 0.0 |
Water | 53.0 |
Ramachandran plot | |
Most favored (%) | 98.04 |
Allowed (%) | 1.96 |