3FWQ

Inactive conformation of human protein kinase CK2 catalytic subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95370
Spacegroup name	P 43
Unit cell lengths	71.324, 71.324, 125.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.300 - 2.300
R-factor	0.17256
Rwork	0.170
R-free	0.23272
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pvr
RMSD bond length	0.006
RMSD bond angle	0.885
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0063)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.500	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.724
Number of reflections	26999
<I/σ(I)>	17.6	2
Completeness [%]	96.9	98.3
Redundancy	7.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Protein stock solution: 10mg/ml CK2alpha, 500mM sodium chloride, 25mM Tris/HCl, pH 8.5; Reservoir: 2M ammonium sulfate, 2M sodium chloride; Drop: 0.001mL reservoir solution, 0.001mL protein stock solution, 0.003mL 1mM AMPPNP, 0.0006mL 10mM magnesium chloride, 0.0001mL glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K