6EHK
The crystal structure of CK2alpha in complex with CAM4712 and compound 37
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 | 2017-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.290, 46.290, 63.050 |
| Unit cell angles | 90.00, 111.93, 90.00 |
Refinement procedure
| Resolution | 36.300 - 1.400 |
| R-factor | 0.1786 |
| Rwork | 0.178 |
| R-free | 0.19390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.300 | 36.300 | 1.440 |
| High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
| Rmerge | 0.056 | 0.028 | 0.851 |
| Rmeas | 0.067 | 0.034 | 1.018 |
| Rpim | 0.036 | 0.019 | 0.553 |
| Total number of observations | 198321 | ||
| Number of reflections | 61116 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.3 | 97.2 | 99.7 |
| Redundancy | 3.2 | 3 | 3.3 |
| CC(1/2) | 0.998 | 0.998 | 0.495 |
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 |
