3QA0

Crystal structure of the apo-form of human CK2 alpha at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976234
Spacegroup name	P 43 21 2
Unit cell lengths	127.838, 127.838, 124.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.170 - 2.500
R-factor	0.20915
Rwork	0.207
R-free	0.24869
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.461
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.170	57.171	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.037	0.588
Number of reflections	31683
<I/σ(I)>	6.3	11	1.2
Completeness [%]	88.3	74.3	92
Redundancy	2.1	2.3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes pH 6.5, vapor diffusion, sitting drop, temperature 293K