6GU2
CDK1/CyclinB/Cks2 in complex with Flavopiridol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 78.132, 53.782, 180.213 |
Unit cell angles | 90.00, 98.26, 90.00 |
Refinement procedure
Resolution | 89.170 - 2.000 |
R-factor | 0.19196 |
Rwork | 0.189 |
R-free | 0.23918 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y72 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.799 |
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] | 89.170 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 1.010 |
Number of reflections | 50412 | |
<I/σ(I)> | 6.9 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 3.7 |
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 |