Table 1.
Data collection and refinement statistics
| hPXR LBD-SRC1-SJB7 | |
|---|---|
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 84.34, 89.30, 106.76 |
| α, β, γ (°) | 90.00, 90.00, 90.00 |
| Resolution (Å) | 2.66 (2.76–2.66)a |
| R merge (%) | 10.8 (31.3) |
| I/σI | 9.2 (6.0) |
| Completeness (%) | 97.3 (91.3) |
| Redundancy | 5.4 (5.4) |
| Refinement | |
| Resolution (Å) | 45.15–2.66 |
| No. reflections | 19,141 |
| R work/R free | 0.20/0.25 |
| No. atoms | 4199 |
| Protein | 4119 |
| Ligand | 60 |
| Water | 20 |
| B-factors | |
| Protein | 54.03 |
| Ligand | 85.01 |
| Water | 49.96 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.013 |
| Bond angles (°) | 1.538 |
aValues in parentheses are for the highest-resolution shell