5OT6
The crystal structure of CK2alpha in complex with compound 19
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.837, 68.092, 335.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 167.640 - 1.940 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24100 |
| 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 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 167.640 | 167.640 | 1.946 |
| High resolution limit [Å] | 1.940 | 9.004 | 1.940 |
| Rmerge | 0.108 | 0.073 | 1.489 |
| Rmeas | 0.113 | 0.077 | 1.553 |
| Rpim | 0.032 | 0.024 | 0.440 |
| Total number of observations | 721975 | 7126 | 7517 |
| Number of reflections | 55709 | ||
| <I/σ(I)> | 20.2 | 46.5 | 2.3 |
| Completeness [%] | 100.0 | 100 | 99.8 |
| Redundancy | 13 | 10.8 | 12.4 |
| CC(1/2) | 0.995 | 0.984 | 0.801 |
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 |
