3KXG
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.972991 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.467, 60.370, 45.514 |
Unit cell angles | 90.00, 103.13, 90.00 |
Refinement procedure
Resolution | 69.340 - 1.700 |
R-factor | 0.21678 |
Rwork | 0.214 |
R-free | 0.26263 |
Structure solution method | Rigid body in an isomorphous cell |
RMSD bond length | 0.018 |
RMSD bond angle | 1.754 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.340 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.059 | 0.441 |
Number of reflections | 41272 | |
<I/σ(I)> | 16.3 | 2.3 |
Completeness [%] | 99.5 | 100 |
Redundancy | 4 | 4 |
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 |