TABLE 1.
Crystallographic data collection and refinement statistics
One crystal was used for the data set. Highest resolution shell is shown in parentheses.
| AT1R-olmesartan | |
|---|---|
| Data collection | |
| Space group | P32 |
| Cell dimensions | |
| a, b, c (Å) | 41.20, 41.20, 251.16 |
| α, β, γ (°) | 90, 90, 120 |
| Resolution (Å) | 35.68–2.80 (2.87–2.80) |
| Rmerge | 0.054 (0.758) |
| I/σI | 11.1 (1.2) |
| Completeness (%) | 94.0 (85.3) |
| Redundancy | 2.4 (2.1) |
| Refinement | |
| Resolution (Å) | 35.68–2.80 |
| No. of reflections | 10,472 (555) |
| Rwork/Rfree | 0.194/0.235 |
| No. of atoms | 2951 |
| Receptor/BRIL | 2918 |
| Ligand | 33 |
| B factors (Å2) | |
| Receptor | 86.2 |
| BRIL | 89.2 |
| Ligand | 78.9 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.13 |