5OS7
The crystal structure of CK2alpha in complex with compound 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 64.739, 68.840, 333.258 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.540 - 1.660 |
R-factor | 0.2222 |
Rwork | 0.221 |
R-free | 0.24750 |
Starting model (for MR) | 5cvh |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.650 | 66.650 | 1.700 |
High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
Rmerge | 0.130 | 0.071 | 1.884 |
Rmeas | 0.139 | 0.077 | 2.041 |
Rpim | 0.050 | 0.028 | 0.774 |
Total number of observations | 687678 | ||
Number of reflections | 88560 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.8 | 7.2 | 6.8 |
CC(1/2) | 0.994 | 0.984 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |