6Q3B
CDK2 in complex with FragLite2
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 | 2017-08-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.916 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.258, 72.337, 71.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.920 - 1.110 |
R-factor | 0.21172 |
Rwork | 0.210 |
R-free | 0.24882 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hck |
RMSD bond length | 0.014 |
RMSD bond angle | 2.007 |
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] | 72.340 | 1.130 |
High resolution limit [Å] | 1.110 | 1.110 |
Rmerge | 0.080 | 2.540 |
Number of reflections | 110033 | |
<I/σ(I)> | 6.3 | 0.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6.5 |
CC(1/2) | 0.990 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5 |