3PE1
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945
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 | 58.478, 46.087, 63.493 |
| Unit cell angles | 90.00, 111.59, 90.00 |
Refinement procedure
| Resolution | 31.200 - 1.600 |
| R-factor | 0.1622 |
| Rwork | 0.160 |
| R-free | 0.20260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pvr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.987 |
| 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] | 46.090 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.045 | 0.466 |
| Number of reflections | 41165 | |
| <I/σ(I)> | 24.7 | 4.1 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 6.7 | 6.7 |
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 |
