Table 4. Structure refinement.
Resolution range (Å) | 32.9–1.90 (1.95–1.90) |
Completeness (%) | 96.63 |
No. of reflections, working set | 17529 |
No. of reflections, test set | 952 |
Final R cryst | 0.229 |
Final R free | 0.266 |
Cruickshank DPI | 0.222 |
No. of non-H atoms | |
Protein | 2085 |
Ligand | 0 |
Water | 256 |
Total | 2341 |
R.m.s. deviations | |
Bonds (Å) | 0.005 |
Angles (°) | 0.745 |
Average B factors (Å2) | |
Protein | 13.1 |
Water | 19.9 |
Overall | 13.8 |
Ramachandran plot | |
Favored regions (%) | 95.8 |
Additionally allowed (%) | 4.2 |
Outliers (%) | 0 |