5OSP
The crystal structure of CK2alpha in complex with an analogue of compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-12 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.632, 45.989, 62.757 |
Unit cell angles | 90.00, 112.23, 90.00 |
Refinement procedure
Resolution | 36.060 - 1.910 |
R-factor | 0.1744 |
Rwork | 0.172 |
R-free | 0.21340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cvh |
RMSD bond length | 0.010 |
RMSD bond angle | 0.960 |
Data reduction software | XPREP |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.060 | 36.060 | 1.940 |
High resolution limit [Å] | 1.910 | 7.990 | 1.910 |
Rmerge | 0.112 | 0.064 | 0.651 |
Number of reflections | 24259 | 364 | 1085 |
<I/σ(I)> | 19.53 | 1.8 | |
Completeness [%] | 99.7 | 98.9 | 94.2 |
Redundancy | 18.29 | 23.62 | 5.28 |
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 |