6Z45
CDK9-Cyclin-T1 complex bound by compound 24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-19 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | H 3 |
| Unit cell lengths | 171.760, 171.760, 97.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.880 - 3.370 |
| R-factor | 0.1741 |
| Rwork | 0.173 |
| R-free | 0.18820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | Aimless |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.880 | 3.560 |
| High resolution limit [Å] | 3.370 | 3.370 |
| Number of reflections | 15063 | 2199 |
| <I/σ(I)> | 16.6 | 2.3 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 5.8 | 6.1 |
| CC(1/2) | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 14% PEG1000, 100 mM sodium potassium phosphate, pH 6.2, 500 mM NaCl, 4 mM TCEP |
