Table 1.
Statistics of data collection and refinement.
| Data collection | Native | SeMet |
| Space group | C2 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 83.51, 24.85, 41.30 | 23.04, 81.14, 45.68 |
| α, β, γ (°) | 90.0, 114.6, 90.0 | 90.0, 90.8, 90.0 |
| Resolution (Å) | 50–1.40 (1.42–1.40) | 50–1.95 (1.98–1.95) |
| Rsym | 0.102 (0.403) | 0.135 (0.506) |
| I/σI | 19.2 (8.8) | 19.9 (2.5) |
| Completeness (%) | 99.0 (100) | 99.1 (91.6) |
| Redundancy | 5.8 (5.9) | 6.6 (3.8) |
| Refinement | ||
| Resolution (Å) | 22.4 – 1.40 | 40.6 – 1.94 |
| No. reflections | 15317 | 12194 |
| Rwork/Rfree | 0.16/0.20 | 0.22/0.27 |
| No. atoms | ||
| Protein | 726 | 1458 |
| Water | 113 | 174 |
| B-factors | ||
| Protein | 14.3 | 26.9 |
| Water | 26.9 | 34.5 |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.006 | 0.001 |
| Bond angles (°) | 0.76 | 0.33 |
| Ramachandran statistics (%) | ||
| Most favored regions | 100.0 | 100.0 |
| Additional allowed regions | 0.0 | 0.0 |
| Disallowed regions | 0.0 | 0.0 |
| PDB code | 5WD9 | 5WD8 |
1
Highest resolution shell is shown in parentheses.