TABLE 1.
Data collection and refinement statistics
| Data collection statistics | |
| Wave length (Å) | 1.000 |
| Space group | P61 |
| Cell dimension | |
| a = b (Å) | 98.7 |
| c (Å) | 129.2 |
| Resolution range | 40.00–2.2 (2.28–2.2)a |
| Observed reflections | 413,006 |
| Unique reflections | 36,249 |
| Average redundancy | 11.4 (11.5) |
| Average I/σ(I) | 44.9 (4.6) |
| Completeness (%) | 99.8 (100.0) |
| Rmerge | 0.056 (0.470) |
| Refinement statistics | |
| Resolution range | 20.00–2.2 (2.26–2.2) |
| Rfactor | 0.212 (0.238) |
| Free R factor | 0.249 (0.302) |
| No. of atoms | |
| Protein | 3,516 |
| Ligand | 110 |
| Waters | 73 |
| R.m.s. deviations | |
| Bonds (Å) | 0.011 |
| Angles (°) | 1.258 |
| Average B-factors (Å2) | |
| Protein | 55.1 |
| Ligand | 60.2 |
| Waters | 41.4 |
| Ramachandran plot | |
| Most favored | 383 (94.8%) |
| Allowed | 19 (4.7%) |
| Generous allowed | 0 (0%) |
| Disallowed | 2 (0.5%) |
a Values in parentheses are for the highest-resolution shell.