Table 2. Validation statistics for the final structure refinement.
| Refinement validation | Strategy 1 | Strategy 2 |
|---|---|---|
| Resolution (Å) | 27.9–2.6 | 27.8–2.6 |
| No. of reflections (total/unique) | 2605/100 066 | 3323/200 258 |
| R work/R free | 0.243/0.273 | 0.252/0.281 |
| No. of atoms | ||
| Protein | 1965 | 1965 |
| Ligand/ion | 0 | 0 |
| Water | 2 | 13 |
| B factor (Å2) | ||
| Protein | 23.86 | 21.36 |
| Ligand/ion | N/A | N/A |
| Water | 8.76 | 21.12 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.0045 | 0.0038 |
| Bond angles (°) | 0.66 | 0.68 |
| Ramachandran | ||
| Favoured (%) | 92.13 | 92.91 |
| Allowed (%) | 7.87 | 7.09 |
| Outliers (%) | 0.00 | 0.00 |
| Clashscore | 7.63 | 6.11 |
| Rotamer outliers (%) | 0.94 | 0.00 |