2C5O
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-18 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.482, 113.508, 157.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.000 - 2.100 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kou |
RMSD bond length | 0.012 |
RMSD bond angle | 2.246 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.410 |
Number of reflections | 70067 | |
<I/σ(I)> | 12.3 | 1.8 |
Completeness [%] | 89.1 | 54 |
Redundancy | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 22% PEG 3350, 0.1M NA3-CIT, pH 7.80 |