Table 2.
Structure refinement statistics
| Statistics | SrtAWT | SrtA2M |
| Resolution range, Å | 38.9–2.1 (2.157–2.1) | 38.9–1.85 (1.898–1.85) |
| Reflections | 21,846 (1,533) | 36,692 (2,195) |
| σ cutoff | None | None |
| R-value, all, % | 16.22 | 17.26 |
| R-value (R-work), % | 16.05 (17.4) | 17.12 (23.7) |
| Free R-value, % | 19.56 (24.0) | 20.08 (23.7) |
| Rms deviations from ideal geometry | ||
| Bond length, Å | 0.017 | 0.012 |
| Angle, ° | 1.76 | 1.60 |
| Chiral, Å | 0.101 | 0.088 |
| No. of atoms | ||
| Protein | 1,737 | 2,974 |
| Sulfate | 5 | — |
| Water | 167 | 258 |
| Mean B-factor, Å2 | ||
| All atoms | 32.0 | 30.7 |
| Protein atoms | 31.2 | 30.3 |
| Protein main chain | 28.6 | 29.0 |
| Protein side chain | 33.9 | 31.6 |
| Sulfate | 66.0 | — |
| Water | 38.5 | 35.9 |
| MolProbity summary | ||
| Ramachandran outliers, % | 0.0 | 0.0 |
| Ramachandran favored, % | 97.18 | 98.89 |
| Rotamer outliers, % | 2.02 | 0.89 |
| C-beta deviations | 0.0 | 0.0 |
| Clash score | 1.73 | 1.34 |
| MolProbity score | 1.31 | 0.86 |