7NXJ
Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972422 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.880, 149.450, 92.010 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 45.860 - 2.360 |
| R-factor | 0.2131 |
| Rwork | 0.212 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5efq |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.608 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.860 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmeas | 0.060 | 0.770 |
| Number of reflections | 54103 | 5344 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 98.2 | 97.3 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 0.1 M MES (pH 6.8), 24% PEG 3350, 0.2 M MgCl2 |
