Table 4. Structure refinement.
Resolution range (Å) | 39–2.1 (2.17–2.10) |
Completeness (%) | 99.9 |
σ Cutoff | F > 1.370σ(F) |
No. of reflections, working set | 24872 (2303) |
No. of reflections, test set | 1998 (185) |
Final R cryst | 0.19 (0.26) |
Final R free | 0.21 (0.28) |
No. of non-H atoms | |
Total | 2993 |
Protein | 2824 |
Ligand | 0 |
Water | 169 |
Total | 2993 |
R.m.s. deviations | |
Bonds (Å) | 0.01 |
Angles (°) | 0.26 |
Average B factors (Å2) | |
Overall | 34.77 |
Protein | 34.3 |
Water | 43.2 |
Ramachandran plot | |
Most favored (%) | 99.43 |
Allowed (%) | 0.57 |