7NXK
Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.210, 77.460, 91.530 |
| Unit cell angles | 103.61, 85.89, 102.56 |
Refinement procedure
| Resolution | 49.000 - 3.000 |
| R-factor | 0.2222 |
| Rwork | 0.220 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nst |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.566 |
| 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] | 49.000 | 3.140 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmeas | 0.190 | 0.990 |
| Number of reflections | 25438 | 3186 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 97.0 | |
| Redundancy | 3.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M MES, pH 6.0, 30% PEGmixture (medium weight pegs), 0.3 M NDSB, 0.2 M MgCl2. |
