4BCM
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.070, 135.410, 148.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.462 - 2.450 |
R-factor | 0.1981 |
Rwork | 0.196 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.964 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.540 | 2.580 |
High resolution limit [Å] | 2.390 | 2.450 |
Rmerge | 0.110 | 0.530 |
Number of reflections | 55186 | |
<I/σ(I)> | 5.25 | 1.42 |
Completeness [%] | 99.3 | 99.7 |
Redundancy | 3.47 | 3.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, IN THE PRESENCE OF 100MM HEPES, PH 7.0, 5MM DTT AND COMPOUND |