6B3E
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
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 | 2016-12-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.140, 77.260, 90.640 |
| Unit cell angles | 76.53, 85.28, 78.22 |
Refinement procedure
| Resolution | 88.080 - 3.060 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nst |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.080 | 3.060 |
| High resolution limit [Å] | 3.060 | 3.050 |
| Rmerge | 0.065 | 0.528 |
| Rmeas | 0.028 | 0.630 |
| Rpim | 0.055 | 0.445 |
| Number of reflections | 22962 | 260 |
| <I/σ(I)> | 16.6 | 2.2 |
| Completeness [%] | 93.5 | 95.2 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Bis-Tris, pH 6.5, 20.5% PEG 3350, 0.4 M MgCl2 |
