3PE2
Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-07-06 |
Detector | PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.510, 46.437, 63.585 |
Unit cell angles | 90.00, 111.73, 90.00 |
Refinement procedure
Resolution | 34.135 - 1.900 |
R-factor | 0.1803 |
Rwork | 0.178 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pvr |
RMSD bond length | 0.007 |
RMSD bond angle | 1.057 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.440 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.089 | 0.594 |
Number of reflections | 24941 | |
<I/σ(I)> | 10.9 | 2 |
Completeness [%] | 98.6 | 96.5 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG 4000, 0.2M Li2SO4, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |