Table 1. Crystallographic Parameters.
| CDK9/cyclin TQ77R/E96G/F241L/CAN508 | CDK9/cyclin TF241L/CAN508 | CDK9/cyclin TF241L | CDK2/cyclin A/CAN508 | |
|---|---|---|---|---|
| Data Collection | ||||
| beamline | ESRF ID29 | DLS I24 | DLS I24 | DLS I02 |
| space group | H3 | H3 | H3 | P212121 |
| unit cell (Å) | a = b = 173.42;c = 97.9 | a = b = 173.30;c = 97.22 | a = b = 173.6;c = 97.47 | a = 74.05; b = 134.57; c = 148.28 |
| α = β = 90°; γ = 120° | α = β = 90°; γ = 120° | α = β = 90°; γ = 120° | α = β = γ = 90° | |
| resolution (highest resolution shell) (Å) | 43.36–2.95 (3.11–2.95) | 49.00–3.20 (3.29–3.20) | 59.52–3.23 (3.41–3.23) | 44.86–2.00 (2.11–2.00) |
| total observations | 84542 (12557) | 61839 (4669) | 58769 (8830) | 397326 (56907) |
| unique | 23081 (3394) | 17892 (1327) | 17300 (2557) | 100421 (14505) |
| Rmerge | 0.072 (0.59) | 0.051 (0.54) | 0.070 (0.49) | 10.3 (0.57) |
| multiplicity | 3.7 (3.7) | 3.5 (3.5) | 3.4 (3.5) | 4.0 (3.9) |
| mean I/σI | 13.3 (1.9) | 15.1 (2.0) | 9.9 (2.4) | 8.8 (2.2) |
| completeness | 99.8% (100%) | 99.8% (99.9%) | 98.8% (99.7%) | 99.8% (97.0%) |
| Refinement Statistics | ||||
| highest resolution shell (Å) | 3.08–2.95 | 3.40–3.20 | 3.44–3.23 | 2.02–2.00 |
| total no. of atoms | 4587 | 4358 | 4489 | 18970 |
| no. of waters | 8 | NA | NA | 913 |
| R | 0.176 (0.314) | 0.177 (0.259) | 0.163 (0.242) | 0.1877 (0.269) |
| Rfree (highest resolution shell) | 0.221 (0.358) | 0.226 (0.318) | 0.210 (0.310) | 0.2266 (0.301) |
| rms bonds | 0.005 | 0.013 | 0.009 | 0.007 |
| rms angles | 0.842 | 1.526 | 1.344 | 1.038 |