Table 1.
Data collection and refinement statistics.
| AT2R-SRP2070Fab complex (PDB:7C6A) | 5HT1B-SRP2070Fab complex (PDB:7C61) | |
|---|---|---|
| Data collection | ||
| Space group | P21 | C2 |
| Cell dimensions | ||
| a, b, c (Å) | 40.2, 131.0, 113.8 | 248.8, 65.7, 79.7 |
| α, β, γ (°) | 90, 97.1, 90 | 90, 98.8, 90 |
| Resolution (Å) | 42.8–3.4 (3.7–3.4)a | 48.5–3.0 (3.2–3.00) |
| Rpim (%) | 14.0 (72.0) | 9.0 (61.7) |
| I/σ (I) | 5.1 (1.1) | 9.2 (1.6) |
| CC1/2 | 0.99 (0.49) | 0.99 (0.62) |
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) |
| Redundancy | 18.8 (14.5) | 29.5 (28.2) |
| Refinement | ||
| Resolution (Å) | 42.8–3.4 (3.49–3.4) | 48.5–3.0 (3.1–3.0) |
| No. reflections | 15,370 (1,120) | 24,568 (1,796) |
| Rwork/Rfree (%) | 22.2/28.0 (37.7/33.2) | 21.3/26.2 (32.8/39.7) |
| No. atoms | ||
| Receptor | 2,252 | 2,105 |
| BRIL | 712 | 719 |
| SRP2070Fab fragment | 3,307 | 3,304 |
| Ligand | 69 | 43 |
| B factors | ||
| Receptor | 104.4 | 158.8 |
| BRIL | 110.6 | 76.9 |
| SRP2070Fab fragment | 103.5 | 68.3 |
| Ligand | 104.8 | 161.5 |
| R.M.S. deviations | ||
| Bond lengths (Å) | 0.008 | 0.011 |
| Bond angles (°) | 1.23 | 1.50 |
| Ramachandran plot | ||
| Favoured (%) | 94.5 | 95.1 |
| Allowed (%) | 5.4 | 4.8 |
| Disallowed (%) | 0.1 | 0.1 |
Data were collected from 144 and 118 crystals of AT2R-SRP2070Fab and 5HT1B-SRP2070Fab complexes, respectively.
aValues in parentheses are for the highest-resolution shell.