3KXN
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.872600 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.839, 60.901, 46.015 |
Unit cell angles | 90.00, 103.37, 90.00 |
Refinement procedure
Resolution | 70.010 - 2.000 |
R-factor | 0.21036 |
Rwork | 0.207 |
R-free | 0.26417 |
Structure solution method | Rigid body in an isomorphous cell |
RMSD bond length | 0.026 |
RMSD bond angle | 2.037 |
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] | 70.014 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.107 | 0.585 |
Number of reflections | 25968 | |
<I/σ(I)> | 11.3 | 1.2 |
Completeness [%] | 99.0 | 98.5 |
Redundancy | 3.8 | 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 |