5OTD
The crystal structure of CK2alpha in complex with compound 25
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 | 2016-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92820 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.587, 69.249, 337.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 168.750 - 1.570 |
| R-factor | 0.2485 |
| Rwork | 0.248 |
| R-free | 0.26120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 168.750 | 168.750 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.082 | 0.045 | 1.360 |
| Rmeas | 0.088 | 0.048 | 1.465 |
| Rpim | 0.031 | 0.017 | 0.535 |
| Total number of observations | 855719 | 10593 | 57471 |
| Number of reflections | 107777 | ||
| <I/σ(I)> | 9.8 | 28.5 | 1.4 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7.9 | 7.7 | 7.3 |
| CC(1/2) | 0.998 | 0.996 | 0.652 |
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 |
