3KXM
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976250 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.185, 60.533, 45.873 |
Unit cell angles | 90.00, 103.04, 90.00 |
Refinement procedure
Resolution | 69.338 - 1.750 |
R-factor | 0.227 |
Rwork | 0.224 |
R-free | 0.28200 |
Structure solution method | Rigid body in an isomorphous cell |
RMSD bond length | 0.022 |
RMSD bond angle | 1.990 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.340 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.065 | 0.379 |
Total number of observations | 13330 | |
Number of reflections | 35009 | |
<I/σ(I)> | 17.2 | 1.9 |
Completeness [%] | 91.2 | 62.6 |
Redundancy | 5 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% PEG 4000, 0.2M Na-acetate, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |