6Q4J
CDK2 in complex with FragLite34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.123, 72.348, 71.886 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.990 - 1.050 |
R-factor | 0.1666 |
Rwork | 0.166 |
R-free | 0.18568 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hck |
RMSD bond length | 0.012 |
RMSD bond angle | 1.800 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.990 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.041 | 0.861 |
Number of reflections | 106937 | 5281 |
<I/σ(I)> | 17.3 | 1 |
Completeness [%] | 82.9 | 6.4 |
Redundancy | 5.7 | 1.1 |
CC(1/2) | 0.990 | 0.340 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5 |