Table 4. Structure refinement.
Values in parentheses are for the highest resolution shell.
Resolution range (Å) | 29.41–1.22 (1.26–1.22) |
Final R cryst | 0.1396 (0.1963) |
Final R free | 0.1583 (0.2067) |
No. of non-H atoms | |
Protein | 6426 |
Ligand | 52 |
Water | 780 |
Total | 7143 |
R.m.s. deviations | |
Bonds (Å) | 0.006 |
Angles (°) | 0.880 |
Average B factors (Å2) | |
Overall | 18.89 |
Protein | 18.01 |
Ligand | 18.50 |
Water | 27.46 |
Ramachandran plot | |
Favored regions (%) | 98.0 |
Additionally allowed (%) | 2.0 |