3PVG
Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68)
Replaces: 3KXJExperimental 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 | 142.876, 60.041, 45.046 |
| Unit cell angles | 90.00, 103.21, 90.00 |
Refinement procedure
| Resolution | 69.500 - 1.500 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.21130 |
| Structure solution method | Rigid body in an isomorphous cell |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.308 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.547 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 | 0.351 |
| Number of reflections | 57922 | |
| <I/σ(I)> | 17.4 | 2 |
| Completeness [%] | 97.5 | 85.2 |
| Redundancy | 3.7 | 3.2 |
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 |
