5OSL
The crystal structure of CK2alpha in complex with compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-03 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.609, 46.395, 62.761 |
| Unit cell angles | 90.00, 112.11, 90.00 |
Refinement procedure
| Resolution | 36.270 - 1.950 |
| R-factor | 0.1653 |
| Rwork | 0.163 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XPREP |
| Data scaling 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] | 36.270 | 36.270 | 1.980 |
| High resolution limit [Å] | 1.950 | 8.160 | 1.950 |
| Rmerge | 0.121 | 0.055 | 0.582 |
| Total number of observations | 327090 | ||
| Number of reflections | 23058 | 346 | 1013 |
| <I/σ(I)> | 17.63 | 2 | |
| Completeness [%] | 99.5 | 98.9 | 90.9 |
| Redundancy | 14.12 | 17.97 | 5.37 |
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 |
