TABLE 2.
Data collection and refinement statistics for MnaA (Legg, 2022).
| Protein | MnaA |
|---|---|
| Data collection | |
| Space group | P1211 |
| Resolution (Å) | 50.00–2.20 (2.28–2.20) |
| Cell dimensions | |
| a(Å) | 45.82 |
| b(Å) | 81.76 |
| c(Å) | 107.72 |
| α(°) | 90 |
| β(°) | 97.14 |
| γ(°) | 90 |
| Z | 2 |
| R sym | 0.057 (0.211) |
| R pim | 0.031 (0.133) |
| C/C 1/2 | (0.957) |
| I/σ(I) | 18.3 (4.4) |
| Completeness (%) | 99.0 (91.4) |
| Redundancy | 4.0 (3.0) |
| Unique reflections | 39705 |
| Refinement | |
| Resolution (Å) | 25.41–2.20 |
| No. reflections | 37651 |
| R work (%) | 21.0 |
| R free (%) | 26.3 |
| No. atoms | |
| Protein | 5,658 |
| Ligand | 14 (PEGa) |
| Water | 183 |
| B factors | |
| Protein | 36.1 |
| Ligand | 52.5 |
| Water | 36.0 |
| Average | 36.1 |
| Ramachandran | |
| Favored (%) | 95.6 |
| Allowed (%) | 4.4 |
| r.m.s. bonds (Å) | 0.0078 |
| r.m.s. angles (°) | 1.66 |