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 |