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 |
