3JUH

Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity

Replaces:  3BW5Replaces:  1YMI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-19
Detector	MAR CCD 165 mm
Wavelength(s)	0.811
Spacegroup name	P 43
Unit cell lengths	71.368, 71.368, 126.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.450 - 1.660
R-factor	0.15821
Rwork	0.156
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.148
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.500		1.700
High resolution limit [Å]	1.660	7.420	1.660
Rmerge	0.058	0.044	0.520
Number of reflections	72782	858	4537
<I/σ(I)>	17.51	66.8	2.4
Completeness [%]	97.5	99.1	82.4
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2.2M sodium citrate, 2mM AMPPNP, 4mM magnesium chloride, 0.62mM peptide RRRADDSDDDDD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K