5MHQ
CCT068127 in complex with CDK2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2016-05-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.660, 71.150, 71.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.360 - 1.300 |
R-factor | 0.19028 |
Rwork | 0.189 |
R-free | 0.22597 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.961 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.150 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.124 | |
Number of reflections | 66489 | |
<I/σ(I)> | 3.2 | 0.4 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.1 | 6.8 |
CC(1/2) | 0.980 | 0.290 |
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. |