Table 3. Structure refinement.
Values in parentheses are for the outer resolution shell.
| Resolution (Å) | 36.68–1.53 |
| Completeness (%) | 96.3 (95.9) |
| No. of reflections, working set | 122621 (5965) |
| No. of reflections, test set | 6883 [5.33%] |
| R work/R free | 0.179/0.209 |
| No. of atoms | |
| Protein | 5947 |
| Water | 689 |
| Ligand (glycerol) | 54 |
| Average B factors (Å2) | |
| Overall | 30.3 |
| Protein | 28.8 |
| Ligand | 62.8 |
| Water | 40.5 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.070 |
| Ramachandran plot | |
| Most favoured (%) | 98.0 |
| Outliers (%) | 0.0 |
| MolProbity overall score | 1.36 |
| MolProbity clashcore | 3.19 |