8P81
Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 103.042, 137.906, 58.471 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.310 - 2.680 |
R-factor | 0.2116 |
Rwork | 0.207 |
R-free | 0.25480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.433 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.310 | 2.770 |
High resolution limit [Å] | 2.680 | 2.680 |
Number of reflections | 21122 | 1520 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 96.3 | |
Redundancy | 12.8 | |
CC(1/2) | 1.000 | 0.464 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 288 | 0.1 M MOPS pH 6.5, 30% PEG mix, 0.1 M NDSB |