5MOD
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 64.443, 68.708, 333.943 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.660 - 2.080 |
R-factor | 0.2066 |
Rwork | 0.206 |
R-free | 0.22420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cvh |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
Data reduction software | XDS (VERSION November 3) |
Data scaling software | Aimless (0.5.4) |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.660 | 2.084 |
High resolution limit [Å] | 2.077 | 2.077 |
Rmerge | 0.088 | 0.552 |
Rmeas | 0.104 | |
Rpim | 0.041 | |
Total number of observations | 293555 | |
Number of reflections | 45385 | |
<I/σ(I)> | 13.2 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.5 | 6.3 |
CC(1/2) | 0.996 | 0.926 |
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 |