5OSU
The crystal structure of CK2alpha in complex with analogues 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 | 2016-04-15 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.555, 46.066, 62.803 |
| Unit cell angles | 90.00, 112.22, 90.00 |
Refinement procedure
| Resolution | 23.560 - 1.630 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.20980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | XPREP |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.110 | 36.110 | 1.650 |
| High resolution limit [Å] | 1.630 | 6.770 | 1.630 |
| Rmerge | 0.089 | 0.044 | 0.670 |
| Number of reflections | 38919 | 586 | 1385 |
| <I/σ(I)> | 16.88 | 1.5 | |
| Completeness [%] | 99.9 | 99.3 | 98.7 |
| Redundancy | 10.93 | 20.52 | 4.66 |
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 |
