5OUM
The crystal structure of CK2alpha in complex with compound 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.240, 67.570, 332.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.110 - 2.050 |
| R-factor | 0.2212 |
| Rwork | 0.220 |
| R-free | 0.24850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.110 | 46.110 | 2.100 |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.114 | 0.063 | 0.965 |
| Rmeas | 0.123 | 0.068 | 1.059 |
| Rpim | 0.045 | 0.025 | 0.415 |
| Total number of observations | 299152 | ||
| Number of reflections | 45145 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 98.0 | 99.3 | 95.6 |
| Redundancy | 6.6 | 6.7 | 5.2 |
| CC(1/2) | 0.997 | 0.995 | 0.611 |
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 |
