6GU3
CDK1/CyclinB/Cks2 in complex with AZD5438
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.636, 68.176, 167.324 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.800 - 2.650 |
R-factor | 0.19819 |
Rwork | 0.195 |
R-free | 0.25824 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y72 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.544 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.800 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.120 | 0.820 |
Number of reflections | 21743 | |
<I/σ(I)> | 9 | 1.9 |
Completeness [%] | 98.2 | 95.3 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M MES/IMIDAZOLE BUFFER (PH6.7), 6.5% MPD, 5% PEG4K, 10% PEG1K PROTEIN AT 10-12 MG/ML + 0.5mM Inhibitor |