6HOR

Human protein kinase CK2 alpha in complex with feruloylmethane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	58.236, 46.346, 63.415
Unit cell angles	90.00, 112.03, 90.00

Refinement procedure

Resolution	36.395 - 1.800
R-factor	0.1635
Rwork	0.161
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q04
RMSD bond length	0.007
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.350	46.350	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.058	0.020	0.645
Rmeas	0.064	0.022	0.722
Rpim	0.028	0.009	0.319
Number of reflections	29291	258	1717
<I/σ(I)>	19.1
Completeness [%]	99.9	98.9	99.9
Redundancy	5	5	5
CC(1/2)	0.999	1.000	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	32% PEG4000, 0.2 M Lithium Sulfate