6Q4G
CDK2 in complex with FragLite37
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.916 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.057, 72.244, 71.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.800 - 0.980 |
R-factor | 0.19142 |
Rwork | 0.190 |
R-free | 0.21062 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hck |
RMSD bond length | 0.019 |
RMSD bond angle | 2.120 |
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] | 71.820 | 1.000 |
High resolution limit [Å] | 0.980 | 0.980 |
Rmerge | 0.090 | 0.590 |
Number of reflections | 7698 | 7698 |
<I/σ(I)> | 10.3 | 0.9 |
Completeness [%] | 98.2 | 78.2 |
Redundancy | 5.9 | 2.2 |
CC(1/2) | 0.990 | 0.510 |
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 |