5OUL
The crystal structure of CK2alpha in complex with compound 9
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 | 2016-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.703, 46.080, 63.369 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 58.590 - 1.340 |
| R-factor | 0.1988 |
| Rwork | 0.198 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.590 | 58.590 | 1.370 |
| High resolution limit [Å] | 1.340 | 5.990 | 1.340 |
| Rmerge | 0.070 | 0.077 | 0.909 |
| Rmeas | 0.080 | 0.088 | 1.055 |
| Rpim | 0.039 | 0.042 | 0.529 |
| Total number of observations | 270297 | 3220 | 19436 |
| Number of reflections | 69349 | ||
| <I/σ(I)> | 8.1 | 18.4 | 1.7 |
| Completeness [%] | 98.6 | 99.8 | 97.1 |
| Redundancy | 3.9 | 3.8 | 3.9 |
| CC(1/2) | 0.996 | 0.989 | 0.435 |
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 |
