3R6X
CDK2 in complex with inhibitor KVR-1-158
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2009-07-21 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.610, 71.590, 72.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.790 - 1.750 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pw2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS (1.2) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.033 | 0.181 |
Number of reflections | 28409 | |
<I/σ(I)> | 31.13 | 9.37 |
Completeness [%] | 98.3 | 96.7 |
Redundancy | 5.26 | 5.26 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |