5OYF
The crystal structure of CK2alpha in complex with compound 31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.617, 45.820, 63.446 |
| Unit cell angles | 90.00, 111.42, 90.00 |
Refinement procedure
| Resolution | 55.500 - 1.540 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.500 | 55.500 | 1.580 |
| High resolution limit [Å] | 1.540 | 6.890 | 1.540 |
| Rmerge | 0.060 | 0.040 | 0.826 |
| Rmeas | 0.073 | 0.050 | 0.986 |
| Rpim | 0.040 | 0.028 | 0.534 |
| Total number of observations | 149545 | 1818 | 11024 |
| Number of reflections | 46364 | ||
| <I/σ(I)> | 8.4 | 25 | 1.3 |
| Completeness [%] | 98.1 | 99.4 | 96.7 |
| Redundancy | 3.2 | 3.2 | 3.3 |
| CC(1/2) | 0.994 | 0.968 | 0.668 |
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 |
