2OXX
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-11 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.348, 60.524, 45.492 |
| Unit cell angles | 90.00, 102.82, 90.00 |
Refinement procedure
| Resolution | 68.840 - 2.300 |
| R-factor | 0.21693 |
| Rwork | 0.214 |
| R-free | 0.27005 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.218 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.840 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | 0.252 |
| Number of reflections | 13565 | |
| <I/σ(I)> | 3.8 | 2.7 |
| Completeness [%] | 82.5 | 85.7 |
| Redundancy | 2 | 1.9 |
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 TrisHCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
