8I0L
Structure of CDK9/cyclin T1 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-25 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 |
| Unit cell lengths | 172.150, 172.150, 97.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.140 - 3.600 |
| R-factor | 0.2346 |
| Rwork | 0.233 |
| R-free | 0.25710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.474 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19-4092-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.140 | 3.728 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.494 | 0.696 |
| Rmeas | 0.565 | 0.801 |
| Rpim | 0.267 | 0.386 |
| Number of reflections | 12388 | 1251 |
| <I/σ(I)> | 3.34 | |
| Completeness [%] | 99.2 | 99.44 |
| Redundancy | 4.6 | |
| CC(1/2) | 0.523 | 0.065 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 277 | 0.1 M sodium potassium phosphate, pH6.6; 10% PEG1000; 0.5 M sodium chloride |
