5OSZ
The crystal structure of CK2alpha in complex with compound 23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-16 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.623, 45.492, 63.784 |
| Unit cell angles | 90.00, 111.08, 90.00 |
Refinement procedure
| Resolution | 36.140 - 2.000 |
| R-factor | 0.1931 |
| Rwork | 0.191 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XPREP (2013/3) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.140 | 36.140 | 2.030 |
| High resolution limit [Å] | 2.000 | 8.360 | 2.000 |
| Rmerge | 0.174 | 0.047 | 0.747 |
| Total number of observations | 408067 | ||
| Number of reflections | 21831 | 328 | 937 |
| <I/σ(I)> | 12.19 | ||
| Completeness [%] | 99.9 | 98.8 | 100 |
| Redundancy | 15.42 | 22.65 | 9.59 |
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 |
