5ORJ
The crystal structure of CK2alpha in complex with compound 3
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 | 64.790, 68.597, 333.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.140 - 1.990 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 333.660 | 333.660 | 1.994 |
| High resolution limit [Å] | 1.988 | 9.226 | 1.988 |
| Rmerge | 0.056 | 0.029 | 1.130 |
| Rmeas | 0.061 | 0.032 | 1.227 |
| Rpim | 0.024 | 0.013 | 0.474 |
| Total number of observations | 337321 | 3072 | 3421 |
| Number of reflections | 51855 | ||
| <I/σ(I)> | 17.2 | 41.2 | 2.1 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.5 | 5.2 | 6.6 |
| CC(1/2) | 0.999 | 0.999 | 0.792 |
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 |
