5OTH
The crystal structure of CK2alpha in complex with compound 26
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 | 2016-07-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.908, 67.346, 333.538 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.740 - 1.690 |
| R-factor | 0.241 |
| Rwork | 0.240 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 333.540 | 333.540 | 1.730 |
| High resolution limit [Å] | 1.690 | 7.560 | 1.690 |
| Rmerge | 0.086 | 0.041 | 1.501 |
| Rmeas | 0.093 | 0.045 | 1.637 |
| Rpim | 0.037 | 0.019 | 0.646 |
| Total number of observations | 515129 | 5898 | 37986 |
| Number of reflections | 82464 | ||
| <I/σ(I)> | 8.2 | 20.9 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.2 | 5.6 | 6.3 |
| CC(1/2) | 0.997 | 0.996 | 0.718 |
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 |
