5CLP
Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.038, 69.025, 334.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 167.170 - 1.684 |
R-factor | 0.1785 |
Rwork | 0.178 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3war |
RMSD bond length | 0.010 |
RMSD bond angle | 0.880 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.14) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 167.170 | 1.689 |
High resolution limit [Å] | 1.684 | 1.684 |
Rmerge | 0.077 | 0.877 |
Rpim | 0.033 | 0.311 |
Total number of observations | 564270 | 82905 |
Number of reflections | 85744 | |
<I/σ(I)> | 14.3 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.3 |
CC(1/2) | 0.998 | 0.841 |
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 |