Table 4. Structure refinement.
| Resolution range (Å) | 44.92–1.70 |
| Completeness (%) | 99.21 |
| No. of reflections, working set | 48520 |
| No. of reflections, test set | 2554 |
| Final R cryst | 0.1655 |
| Final R free | 0.2012 |
| Cruickshank DPI† (Å) | 0.104 |
| No. of non-H atoms | |
| Protein | 4049 |
| Ligand | 96 |
| Water | 203 |
| Total | 4348 |
| R.m.s. deviations | |
| Bonds (Å) | 0.0179 |
| Angles (°) | 1.8089 |
| Average B factors (Å2) | |
| Protein | 16.718 |
| Ligand | 17.826 |
| Water | 25.259 |
| Ramachandran plot | |
| Favoured regions (%) | 94.38 |
| Additionally allowed (%) | 5.23 |
| Outliers (%) | 0.39 |
†
Diffraction-component precision indicator (Cruickshank, 1999 ▸).