Table 1. Data collection and refinement statistics. Values in parentheses are for highest-resolution shell.
| QQQ | |
|---|---|
| Data collection | |
| Space group | I222 |
| Cell dimension | |
| a, b, c (Å) | 80.97, 120.44, 122.57 |
| α, β, γ (°) | 90.0, 90.0, 90.0 |
| Resolution (Å) | 28.64–2.62 (2.73–2.62) |
| Rmerge | 0.164 (0.817) |
| I/ σI | 8.4 (1.6) |
| Completeness % | 97.5 (83.1) |
| Redundancy | 7.4 (4.5) |
| Refinement | |
| Resolution (Å) | 39.26–2.62 (2.68–2.62) |
| Number of reflections | 17029 |
| Rwork/Rfree | 0.192/0.262 |
| (0.282–0.293) | |
| Number of atoms | |
| Protein | 3252 |
| Ions | 3 |
| Water | 55 |
| B-factors | |
| Protein | 64.9 |
| Ions | 83.9 |
| Water | 70.2 |
| r.m.s deviations | |
| Bond length (Å) | 0.005 |
| Bond angle (°) | 1.329 |
| Ramachandran favored | 96.3 |
| Ramachandran outliers | 0 |