Table 1.
Data collection and refinement statistics
| wMelOTU | wMelOTU‐Ub | EschOTU‐Ub | |
|---|---|---|---|
| Data collection | |||
| Space group | P 21 21 21 | C 1 2 1 | P 41 2 2 |
| Cell dimensions | |||
| a, b, c (Å) | 52.54, 56.64, 63.96 | 136.93, 78.20, 280.43 | 67.34, 67.34, 144.43 |
| α, β, γ (°) | 90, 90, 90 | 90, 91.57, 90 | 90, 90, 90 |
| Resolution (Å) | 33.00–1.47 (1.52–1.47) | 27.29–1.82 (1.89‐1.82) | 67.34–2.10 (2.18–2.10) |
| R merge | 0.049 (0.678) | 0.139 (0.867) | 0.032 (0.884) |
| I/σI | 15.4 (2.7) | 9.4 (2.8) | 14.5 (1.5) |
| Completeness (%) | 99.52 (99.76) | 92.21 (94.66) | 99.5 (99.6) |
| Redundancy | 4.3 (4.1) | 7.8 (7.7) | 4.2 (4.4) |
| Refinement | |||
| Resolution (Å) | 33.00–1.47 | 27.29–1.82 | 67.34–2.10 |
| No. unique reflections/test set | 33,002/3,265 | 244,560/24,941 | 20,025/1,972 |
| R work /R free | 0.162/0.189 | 0.167/0.208 | 0.218/0.256 |
| No. atoms | |||
| Protein | 1,309 | 22775 | 1,961 |
| Ligand/ion | 4 | 192 | 12 |
| Water | 185 | 3,647 | 63 |
| B‐factors | |||
| Protein | 24.8 | 22.7 | 69.2 |
| Ligand/ion | 58.1 | 26.6 | 76.4 |
| Water | 42.0 | 34.5 | 67.7 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.014 | 0.009 | 0.015 |
| Bond angles (°) | 1.36 | 0.90 | 1.26 |
Values in parentheses are for highest resolution shell.