5OQU
The crystal structure of CK2alpha in complex with compound 5
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 | 2014-11-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.668, 67.922, 332.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 166.400 - 2.324 |
| R-factor | 0.2209 |
| Rwork | 0.220 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 332.804 | 332.804 | 2.331 |
| High resolution limit [Å] | 2.324 | 10.785 | 2.324 |
| Rmerge | 0.054 | 0.023 | 0.844 |
| Rmeas | 0.059 | 0.025 | 0.919 |
| Rpim | 0.023 | 0.010 | 0.359 |
| Total number of observations | 209930 | 1864 | 2051 |
| Number of reflections | 32253 | ||
| <I/σ(I)> | 18.4 | 45.1 | 2.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.5 | 4.8 | 6.4 |
| CC(1/2) | 1.000 | 0.999 | 0.891 |
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 |
