2OXD
Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.148, 60.316, 46.238 |
Unit cell angles | 90.00, 103.56, 90.00 |
Refinement procedure
Resolution | 69.170 - 2.300 |
R-factor | 0.22338 |
Rwork | 0.221 |
R-free | 0.27330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zoe |
RMSD bond length | 0.010 |
RMSD bond angle | 1.325 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.170 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.091 | 0.216 |
Number of reflections | 14913 | |
<I/σ(I)> | 1.8 | 2.8 |
Completeness [%] | 88.5 | 92.7 |
Redundancy | 1.9 | 1.8 |
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 293.0K |