5CS6
Crystal Structure of CK2alpha with Compound 3 bound
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 | 2014-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9202 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.500, 68.848, 335.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 167.940 - 1.880 |
| R-factor | 0.2061 |
| Rwork | 0.206 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3war |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 167.940 | 1.886 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.063 | 1.002 |
| Total number of observations | 496000 | 5279 |
| Number of reflections | 61523 | |
| <I/σ(I)> | 16 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate |
