3Q9Z

Crystal structure of human CK2 alpha in complex with Quinalizarin 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	127.956, 127.956, 125.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.220 - 2.200
R-factor	0.2153
Rwork	0.213
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pvr
RMSD bond length	0.022
RMSD bond angle	1.867
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]	89.680	57.224	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.043	0.636
Rmeas		0.055	0.815
Rpim		0.033	0.499
Total number of observations		3633	13857
Number of reflections	50758
<I/σ(I)>	7.2	30.8	1.3
Completeness [%]	95.6	85	85
Redundancy	2.2	2.4	2.1

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