7L1X
Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-21 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.98011 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.348, 45.981, 63.683 |
Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
Resolution | 24.880 - 1.800 |
R-factor | 0.1754 |
Rwork | 0.173 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3owj |
RMSD bond length | 0.005 |
RMSD bond angle | 1.225 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.091 | 0.500 |
Number of reflections | 28233 | 1485 |
<I/σ(I)> | 18.51 | |
Completeness [%] | 97.3 | |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM Tris-HCl pH 7.5 200 mM ammonium sulfate 21% PEG5000 |