5OS8
The crystal structure of CK2alpha in complex with compound 11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-17 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.780, 46.222, 63.366 |
| Unit cell angles | 90.00, 112.41, 90.00 |
Refinement procedure
| Resolution | 36.290 - 1.550 |
| R-factor | 0.1777 |
| Rwork | 0.176 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| 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] | 46.220 | 46.220 | 1.570 |
| High resolution limit [Å] | 1.550 | 6.440 | 1.550 |
| Rmerge | 0.086 | 0.048 | 0.575 |
| Number of reflections | 45884 | 693 | 1685 |
| <I/σ(I)> | 15.27 | 2.1 | |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 10.52 | 20.86 | 5.91 |
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 |
