Table 4. Structure solution and refinement.
| RtGH124–G3–Mn (PDB entry 6g1g) | RtGH124–G5F–Mn (PDB entry 6g1i) | |
|---|---|---|
| Resolution range (Å) | 64.10–1.04 | 53.59–0.99 |
| Completeness (%) | 99.9 | 95.13 |
| σ Cutoff | None | None |
| No. of reflections, working set | 107700 | 204772 |
| No. of reflections, test set | 5714 | 10962 |
| Final R cryst | 0.13 | 0.13 |
| Final R free | 0.14 | 0.15 |
| No. of non-H atoms | ||
| Protein | 1817 | 3589 |
| Ion | 1 | 2 |
| Ligand | 80 | 180 |
| Water | 270 | 475 |
| Total | 2168 | 4246 |
| R.m.s. deviations | ||
| Bonds (Å) | 0.020 | 0.020 |
| Angles (°) | 1.9 | 1.9 |
| Average B factors (Å2) | ||
| Protein | 15 | 11 |
| Ion | 13 | 9 |
| Ligand | 12 | 13 |
| Water | 30 | 24 |
| Ramachandran plot | ||
| Most favoured (%) | 203 | 402 |
| Allowed (%) | 3 | 10 |
| Outliers | 1 | 0 |