4FKJ
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.301, 71.713, 72.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.890 - 1.630 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r3i |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.053 | 0.414 |
Number of reflections | 34775 | |
<I/σ(I)> | 14.4 | |
Completeness [%] | 98.8 | 85.6 |
Redundancy | 6.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293.15 | 15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, VAPOR DIFFUSION, SITTING DROP, pH 7.8 |