3SW7
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine 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 | 53.638, 72.041, 72.419 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.480 - 1.800 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.21540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.076 | 0.054 | 0.362 |
Number of reflections | 34401 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.0 | 97 | 92.1 |
Redundancy | 6.7 | 5.9 | 6.2 |
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 pH 7.8, vapor diffusion, sitting drop, temperature 293.15K |