3R0T
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279
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 | 2010-10-30 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.352, 46.184, 63.300 |
| Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
| Resolution | 35.177 - 1.750 |
| R-factor | 0.1628 |
| Rwork | 0.160 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.036 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.180 | 46.184 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
| Rmerge | 0.083 | 0.054 | 0.462 |
| Total number of observations | 3477 | 4104 | |
| Number of reflections | 28551 | ||
| <I/σ(I)> | 8 | 10.8 | 1.7 |
| Completeness [%] | 89.6 | 99.2 | 57.4 |
| Redundancy | 2.8 | 3.3 | 1.6 |
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 |
