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 |
