4KWP
Crystal Structure of Human CK2-alpha in complex with a benzimidazole inhibitor (K164) at 1.25 A resolution
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 | 2012-11-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.448, 45.821, 63.486 |
| Unit cell angles | 90.00, 111.15, 90.00 |
Refinement procedure
| Resolution | 36.238 - 1.250 |
| R-factor | 0.1378 |
| Rwork | 0.136 |
| R-free | 0.16960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.154 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 59.211 |
| High resolution limit [Å] | 1.250 |
| Rmerge | 0.070 |
| Number of reflections | 86589 |
| <I/σ(I)> | 12.5 |
| Completeness [%] | 99.8 |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1 M Tris-HCl, 0.2 M lithium sulphate, 32% w/v PEG 4000, pH 8.5, vapor diffusion, temperature 293K |
