5OUU
The crystal structure of CK2alpha in complex with compound 22
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 | 2015-05-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.835, 67.949, 331.972 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.330 - 1.810 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 331.972 | 331.972 | 1.818 |
| High resolution limit [Å] | 1.810 | 8.409 | 1.810 |
| Rmerge | 0.064 | 0.035 | 1.064 |
| Rmeas | 0.069 | 0.038 | 1.143 |
| Rpim | 0.025 | 0.015 | 0.413 |
| Total number of observations | 490138 | 4771 | 4805 |
| Number of reflections | 67273 | ||
| <I/σ(I)> | 16.4 | 40.2 | 2.2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7.3 | 6.1 | 7.6 |
| CC(1/2) | 0.999 | 0.998 | 0.903 |
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 |
