2WXV
Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 185.513, 185.513, 215.180 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.800 - 2.600 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.560 |
Number of reflections | 66956 | |
<I/σ(I)> | 13 | 2.3 |
Completeness [%] | 99.2 | 99 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH7 |