5OTR
The crystal structure of CK2alpha in complex with compound 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-23 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.890, 46.191, 62.924 |
| Unit cell angles | 90.00, 112.16, 90.00 |
Refinement procedure
| Resolution | 36.200 - 1.520 |
| R-factor | 0.1805 |
| Rwork | 0.179 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XPREP (2013/3) |
| 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] | 36.200 | 36.200 | 1.540 |
| High resolution limit [Å] | 1.520 | 6.310 | 1.520 |
| Rmerge | 0.057 | 0.034 | 0.450 |
| Total number of observations | 464005 | ||
| Number of reflections | 48157 | 723 | 1703 |
| <I/σ(I)> | 21.38 | ||
| Completeness [%] | 99.5 | 99.4 | 94.2 |
| Redundancy | 9.58 | 20.87 | 3.1 |
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 |
