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