5OTZ
The crystal structure of CK2alpha in complex with compound 1
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 | 2016-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.721, 46.224, 63.327 |
| Unit cell angles | 90.00, 112.58, 90.00 |
Refinement procedure
| Resolution | 54.220 - 1.460 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.21080 |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 54.220 | 54.220 | 1.500 |
| High resolution limit [Å] | 1.460 | 6.530 | 1.460 |
| Rmerge | 0.083 | 0.064 | 0.902 |
| Rmeas | 0.099 | 0.077 | 1.100 |
| Rpim | 0.054 | 0.041 | 0.621 |
| Total number of observations | 176660 | 2136 | 12101 |
| Number of reflections | 54630 | ||
| <I/σ(I)> | 6.7 | 18.6 | 1.3 |
| Completeness [%] | 99.9 | 99.7 | 99.5 |
| Redundancy | 3.2 | 3.2 | 3 |
| CC(1/2) | 0.994 | 0.985 | 0.507 |
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 |
