2OXY
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Detector technology | CCD |
| Collection date | 2006-02-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.287, 57.440, 62.467 |
| Unit cell angles | 91.90, 103.86, 97.51 |
Refinement procedure
| Resolution | 60.520 - 1.812 |
| R-factor | 0.21039 |
| Rwork | 0.207 |
| R-free | 0.26856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.816 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.520 | 1.900 |
| High resolution limit [Å] | 1.812 | 1.812 |
| Rmerge | 0.056 | 0.166 |
| Number of reflections | 55038 | |
| <I/σ(I)> | 7.1 | 3.4 |
| Completeness [%] | 92.0 | 72.7 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 10-20% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
