Table 1. Data collection and refinement statistics.
| XcpVW | XcpVWX | |
|---|---|---|
| Data collection | ||
| Space group | P21 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 40.11, 200.95, 66.45 | 61.5, 76.8, 102.9 |
| α, β, γ (°) | 90, 95.14, 90 | 90, 90, 90 |
| Resolution (Å) | 19.7–2.0 (2.1–2.0) * | 43.5–2.0 (2.15–2.0) * |
| Rmerge | 11.0 (76.3) | 4.7 (18.6) |
| I / σ | 11.73 (2.77) | 10.3 (9.73) |
| Completeness (%) | 97.9 (100) | 99.2 (100) |
| Redundancy | 8.5 (8.7) | 9.8 (9.5) |
| Refinement | ||
| Resolution (Å) | 19.7–2.0 | 43.5–2.0 |
| No. reflections | 68806 | 31625 |
| Rwork / Rfree | 20.62/25.80 | 19.09/24.81 |
| No. atoms | 8562 | 4300 |
| Protein | 8020 | 4015 |
| Ligand/ion | 20 | 3 |
| Water | 522 | 282 |
| B-factors | ||
| Protein | 36.3 | 32.3 |
| Ligand/ion | 35.1 | 22.1 |
| Water | 41.9 | 35.3 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.008 | 0.008 |
| Bond angles (°) | 1.100 | 0.915 |
* Values in parentheses are for the highest resolution shell.