Table 1.
Diffraction data collection and refinement statistics.
| CDK1172-380-OTS964 | |
|---|---|
|
| |
| Data collection | |
| Space group | P 65 |
| Cell dimensions | |
| a, b, c (Å) | 146.68, 146.68, 230.94 |
| α, β, γ (°) | 90.00, 90.00, 120.00 |
| Resolution (Å) | 200.00–2.60 (2.65–2.60) |
| Rmeas | 11.4 (280.1) |
| Rpim | 4.1 (95.5) |
| Rmerge | 11.4 (262.9) |
| I/σI | 13.2 (0.8) |
| CC1/2 | 99.9 (18.8) |
| Completeness (%) | 99.9 (97.2) |
| Reflections (unique) | 86336 |
| Redundancy | 8.6 (8.3) |
| Refinement | |
| Resolution (Å) | 127.03–2.60 (2.64–2.60) |
| No. reflections | 86184 (3761) |
| Rwork | 0.222 (0.308) |
| Rfree | 0.236 (0.331) |
| No. atoms | |
| Protein | 13231 |
| Ligands | 198 |
| B-factors | |
| Protein | 73.8 |
| Ligands | 70.9 |
| R.M.S. deviations | |
| Bond lengths (Å) | 0.002 |
| Bond angles (°) | 0.503 |
| Ramachandran Plot | |
| Most favored (%) | 96.8 |
| Allowed (%) | 2.8 |
| Disallowed (%) | 0.3 |
| Clashscore | 6.80 |
| MolProbity score | 1.57 |
| PDB ID code | 7UKZ |
*
Highest resolution shell is shown in parenthesis.