Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range (Å) | 48.17–2.30 (2.36–2.30) |
| Completeness (%) | 99.0 (92.3) |
| σ Cutoff | F > 1.34σ(F) |
| No. of reflections, working set | 35070 (2327) |
| No. of reflections, test set | 1884 (144) |
| Final Rcryst | 0.232 (0.272) |
| Final Rfree | 0.271 (0.315) |
| No. of non-H atoms | |
| Protein | 5264 |
| Ligand | 94 |
| Solvent | 188 |
| Total | 5546 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.002 |
| Angles (°) | 0.543 |
| Average B factors (Å2) | |
| Protein | 58.0 |
| Ligand | 42.9 |
| Water | 46.0 |
| Ramachandran plot | |
| Most favored (%) | 96 |
| Allowed (%) | 4 |