3KXH
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66)
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 | 143.838, 60.411, 47.094 |
| Unit cell angles | 90.00, 103.93, 90.00 |
Refinement procedure
| Resolution | 69.840 - 1.700 |
| R-factor | 0.21498 |
| Rwork | 0.212 |
| R-free | 0.26648 |
| Structure solution method | Rigid body in an isomorphous cell |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.269 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.843 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.102 | 0.537 |
| Number of reflections | 43218 | |
| <I/σ(I)> | 12.3 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
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 |
