TABLE 1.
Data collection and refinement statistics
| Statistics | RXRαLBD-SMRT | RXRαLBD-rhein-SMRT |
|---|---|---|
| Data collection | ||
| Space group | P 41 21 2 | P 21 21 21 |
| Cell dimensions | ||
| a, b, c (Å) | 118.22, 118.22, 84.02 | 85.03, 117.58, 117.12 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 44.7-2.9 (3.0-2.9)a | 42.5-3.0 (3.1-3.0) |
| Rsym or Rmerge | 0.092 (0.447) | 0.083 (0.542) |
| I/σI | 49.2 (7.3) | 29.8 (4.1) |
| Completeness (%) | 99.5 (100) | 99.0 (100) |
| Redundancy | 7.5 (7.5) | 3.6 (3.8) |
| Refinement | ||
| Resolution (Å) | 44.8-2.9 | 42.5-3.0 |
| No. of reflections | 13,219 | 22,792 |
| Rwork/Rfree | 0.251/0.292 | 0.247/0.290 |
| No. of atoms | 3,504 | 6,901 |
| B-factors | 65.1 | 70.1 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.019 | 0.017 |
| Bond angles (°) | 1.239 | 1.109 |
| Ramachandran plot (%) | ||
| Most favored regions | 94.3 | 93.8 |
| Allowed regions | 5.7 | 6.2 |
a Values in parentheses are for highest resolution shell.