4FKU
Crystal structure of the cdk2 in complex with oxindole 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 | 2010-07-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.271, 71.741, 72.192 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.520 - 1.470 |
R-factor | 0.165 |
Rwork | 0.164 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r3i |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.090 | 0.425 |
Number of reflections | 47718 | |
<I/σ(I)> | 8.5 | |
Completeness [%] | 99.8 | 97.7 |
Redundancy | 7.1 | 5.4 |
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 PH 7.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K |