5CSV
Crystal Structure of CK2alpha with Compound 6 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.525, 45.433, 63.423 |
| Unit cell angles | 90.00, 111.73, 90.00 |
Refinement procedure
| Resolution | 58.910 - 1.375 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3war |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.915 | 1.380 |
| High resolution limit [Å] | 1.375 | 1.375 |
| Rmerge | 0.028 | 0.449 |
| Rpim | 0.018 | 0.235 |
| Total number of observations | 207389 | 43751 |
| Number of reflections | 64289 | |
| <I/σ(I)> | 19 | 2 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 3.2 | 2.6 |
| CC(1/2) | 1.000 | 0.848 |
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 |
