Data collection and refinement statistics (molecular replacement).
| SRCR1 (pdbid: 6sa4) | SRCR8 (pdbid: 6sa5) | SRCR8soak (pdbid: 6san) | |
|---|---|---|---|
| Data collection | |||
| Space group | P 21 21 21 | P 21 21 21 | P 1 21 1 |
| Cell dimensions | |||
| a, b, c (Å) | 36.77, 45.19, 69.37 | 32.82, 40.82, 62.99 | 27.24, 46.64, 93.63 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 | 90.00, 97.37, 90.00 |
| Resolution (Å) | 28.52–1.77 (1.80–1.77)a | 40.82–1.29 (1.31–1.29) | 46.64–1.36 (1.39–1.36) |
| Rmerge | 0.17 (1.36) | 0.117 (1.12) | 0.074 (0.801) |
| I/σI | 8.1 (1.1) | 8.6 (0.9) | 14.9 (2.2) |
| Completeness (%) | 99.8 (99.3) | 100 (99.6) | 98.3 (96.9) |
| Redundancy | 6.3 (6.6) | 11.4 (8.0) | 6.6 (6.4) |
| Refinement | |||
| Resolution (Å) | 28.52–1.77 (1.95–1.77) | 34.27–1.29 (1.35–1.29) | 30.95–1.36 (1.39–1.36) |
| No. of reflections | 11,730 | 21,958 | 49,166 |
| Rwork/Rfree | 0.186/0.229 (0.266/0.348) | 0.155/0.188 (0.326/0.279) | 0.186/0.226 (0.267/0.326) |
| No. of atoms | |||
| Protein | 824 | 829 | 3,192 |
| Ligand/ion | 26 | 18 | 34 |
| Water | 109 | 124 | 358 |
| B-factors | |||
| Protein | 22.36 | 16.80 | 17.48 |
| Ligand/ion | 49.33 | 54.03 | 26.08 |
| Water | 31.15 | 33.66 | 35.55 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.006 | 0.009 | 0.007 |
| Bond angles (°) | 0.809 | 1.026 | 0.87 |
| Ramachandran outliers | 0 | 0 | 0 |
| Rotamer outliers | 0 | 0 | 0 |
Number of crystals was one for each structure.
↵a Values in parentheses are for highest resolution shell. Data from SRCR1 and SRCR8 crystals were collected on Diamond beamline I04, while data for SRCR8soak were collected on beamline I03.