3OWJ
Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.919 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.510, 46.030, 63.620 |
Unit cell angles | 90.00, 111.79, 90.00 |
Refinement procedure
Resolution | 29.120 - 1.850 |
R-factor | 0.20051 |
Rwork | 0.196 |
R-free | 0.24210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.191 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.300 | 1.910 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.051 | 0.367 |
Number of reflections | 26709 | |
<I/σ(I)> | 18.7 | 3.9 |
Completeness [%] | 97.0 | 92.7 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 36% polyethylene glycol 5000 monomethyl ether, 150 mM ammonium sulfate and 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |