Table 1. X-ray data collection and refinement statistics.
| CDK1–Cks1 | CDK1–cyclin B-Cks2 | CDK1–cyclin B-Cks2-Compound 23 | |
|---|---|---|---|
| Data collection | |||
| Space group | P21 | P212121 | P212121 |
| Cell dimensions | |||
| a, b, c (Å) | 66.8, 147.5, 87.3 | 69.2, 70.2, 156.2 | 65.2, 68.7, 166.8 |
| α, β, γ (°) | 90.0, 92.1, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution(Å) | 75.10-2.80 (2.91-2.80) | 52.19-2.80 (2.95-2.80) | 53.00-2.30 (2.38-2.30) |
| Rmerge | 0.08(0.89) | 0.15 (0.57) | 0.09 (0.90) |
| I/σ(I) | 15.3(1.8) | 7.2 (2.0) | 13.7 (2.4) |
| Completeness (%) | 99.7 (98.8) | 99.6 (97.9) | 99.9 (99.9) |
| Redundancy | 5.9 (5.2) | 3.6 (3.2) | 6.7 (6.4) |
| Refinement | |||
| Resolution(Å) | 75.10-2.80 | 78.10-2.80 | 53.00-2.30 |
| No. reflections | 41,491 (1,787) | 19,278 (1,014) | 34,010 (1,697) |
| Rwork/Rfree | 0.234 (0.269) | 0.209 (0.282) | 0.200 (0.254) |
| No. atoms | |||
| Protein | 23,200 | 10,377 | 10,291 |
| Ligand/ion | 0 | 0 | 37 |
| Water | 0 | 33 | 101 |
| B-factors | |||
| Protein | 36.2 | 39.2 | 24.2 |
| Ligand/ion | NA | NA | 38.0 |
| Water | NA | 14.8 | 38.7 |
| R.m.s.d. | |||
| Bond lengths (Å) | 0.012 | 0.013 | 0.013 |
| Bond angles (°) | 1.679 | 1.696 | 1.687 |
NA, not applicable; r.m.s.d., root mean-squared deviations.