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 |
