3FL5
Protein kinase CK2 in complex with the inhibitor Quinalizarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9340 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.743, 61.078, 44.797 |
Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
Resolution | 69.500 - 2.300 |
Rwork | 0.183 |
R-free | 0.23500 |
Structure solution method | Rigid body in an isomorphous cell |
RMSD bond length | 0.008 |
RMSD bond angle | 1.082 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.541 | 55.900 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.050 | 0.027 | 0.153 |
Total number of observations | 1463 | 7176 | |
Number of reflections | 15986 | ||
<I/σ(I)> | 12.2 | 20.5 | 5 |
Completeness [%] | 95.4 | 92 | 95.3 |
Redundancy | 3.1 | 2.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 4000, 200mM Na-acetate, 100mM Na-HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |