4FKR
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 | 53.581, 72.074, 72.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.000 - 1.900 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r3i |
RMSD bond length | 0.012 |
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 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.085 | 0.399 |
Number of reflections | 23943 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 97.7 | 96.6 |
Redundancy | 7.1 | 7.2 |
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 |