3PZH

Crystal structure of maize CK2 alpha in complex with emodin at 1.92 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	C 1 2 1
Unit cell lengths	142.629, 59.376, 44.860
Unit cell angles	90.00, 103.06, 90.00

Refinement procedure

Resolution	36.518 - 1.919
R-factor	0.1611
Rwork	0.159
R-free	0.20860
Structure solution method	Rigid Body
RMSD bond length	0.007
RMSD bond angle	1.013
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.471	41.451	2.020
High resolution limit [Å]	1.919	6.070	1.920
Rmerge		0.020	0.365
Rmeas		0.025	0.468
Rpim		0.015	0.289
Total number of observations		2213	7122
Number of reflections	26706
<I/σ(I)>	13.8	41.7	2.4
Completeness [%]	95.4	92.4	86
Redundancy	2.5	2.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% PEG 4000, 0.2M sodium acetate, 0.1M TrisHCl, pH 8, vapor diffusion, sitting drop, temperature 293K