Table 4. Structure refinement.
Resolution range (Å) | 45.62–1.83 (1.877–1.830) |
Completeness (%) | 99.1 |
σ Cutoff | 3.01 |
No. of reflections, working set | 23102 (1706) |
No. of reflections, test set | 1228 (82) |
Final R cryst | 0.177 (0.200) |
Final R free | 0.233 (0.257) |
Cruickshank DPI | 0.1445 |
No. of non-H atoms | |
Protein | 2207 |
Ligand | 0 |
Water | 290 |
Total | 2497 |
R.m.s. deviations | |
Bonds (Å) | 0.013 |
Angles (°) | 1.396 |
Average B factors (Å2) | |
Protein | 14.7 |
Water | 21.4 |
Ramachandran plot | |
Favoured regions (%) | 97.0 |
Additionally allowed (%) | 2.6 |