Table 1. X-ray data collection and refinement statistics.
Values within parenthesis correspond to the highest resolution shell.
| Data collection summary | PrgB584–1233 |
|---|---|
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 76.0, 87.5, 224.8 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 47.3–1.84 (1.91–1.84) |
| Completeness (%) | 99.6 (99.5) |
| Rmeas (%) | 0.03 (0.99) |
| I/σ (I) | 12.1 (1.0) |
| CC(1/2) | 1 (0.67) |
| Redundancy | 2.0 (2.0) |
| No. unique reflections | 130,301 (12,877) |
| Refinement summary | |
| Resolution (Å) | 47.3–1.84 |
| Rwork (%) | 20.9 |
| Rfree (%) | 24.5 |
| Number of atoms | |
| Protein | 10,080 |
| Water | 816 |
| Ther ligands | 2 |
| B-factors | |
| Protein | 44.9 |
| Water | 47.7 |
| Ther ligands | 48.3 |
| r.m.s. deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 0.79 |
| Ramachandran statistics | |
| Utliers (%) | 0 |
| Allowed (%) | 1.5 |
| Favored (%) | 98.5 |