9JK1
Crystal structure of CDK12/Cyclin K in complex with covalent inhibitor YJZ5118
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.200, 77.190, 91.460 |
| Unit cell angles | 75.88, 85.63, 77.92 |
Refinement procedure
| Resolution | 29.560 - 2.720 |
| R-factor | 0.2493 |
| Rwork | 0.248 |
| R-free | 0.26650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.761 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.560 | 2.850 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.071 | 0.607 |
| Number of reflections | 34082 | 4551 |
| <I/σ(I)> | 10.9 | 2 |
| Completeness [%] | 97.5 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Bis-Tris, pH 5.8, 21.5% PEG 3350, 0.4 M MgCl2 |
