3U9C
Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit with the ATP-competitive inhibitor resorufin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-15 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.777, 127.777, 125.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.948 - 3.200 |
R-factor | 0.2024 |
Rwork | 0.201 |
R-free | 0.23110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nga |
RMSD bond length | 0.002 |
RMSD bond angle | 0.574 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.500 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.178 | 0.689 |
Number of reflections | 17653 | |
<I/σ(I)> | 14.6 | 3.9 |
Completeness [%] | 99.6 | 100 |
Redundancy | 10.2 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | reservoir: 30 % polyethylene glycol 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 2 microliters preincubated CK2alpha/resorufin mixture (5 mM resorufin, 5 mg/ml Ck2alpha), 1 reservoir solution , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |