5AND
Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.616, 70.568, 72.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.470 - 2.300 |
R-factor | 0.20231 |
Rwork | 0.200 |
R-free | 0.24295 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hcl |
RMSD bond length | 0.013 |
RMSD bond angle | 1.605 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.470 |
High resolution limit [Å] | 2.300 |
Rmerge | 0.140 |
Number of reflections | 12740 |
Completeness [%] | 99.9 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350 |