Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range () | 37.302.60 (2.702.60) |
| Completeness (%) | 89.7 |
| Cutoff | F > 1.35(F) |
| No. of reflections, working set | 7926 (2008) |
| No. of reflections, test set | 414 (106) |
| Final R cryst | 0.195 (0.254) |
| Final R free | 0.266 (0.288) |
| Cruickshank DPI (coordinate error estimate) | 0.32 |
| No. of non-H atoms | |
| Protein | 1655 |
| Ligand | 35 |
| Water | 60 |
| R.m.s. deviations | |
| Bonds () | 0.009 |
| Angles () | 1.085 |
| Average B factors (2) | |
| Protein | 50.60 |
| Ligand | 78.10 |
| Water | 53.50 |
| Ramachandran plot | |
| Most favoured (%) | 86.7 |
| Additional allowed (%) | 12.8 |
| Generously allowed (%) | 0.5 |
| Disallowed (%) | 0 |