5MOW

Crystal Structure of CK2alpha with ZT0432 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	C 2 2 21
Unit cell lengths	64.402, 68.693, 335.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.870 - 1.860
R-factor	0.1906
Rwork	0.190
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cvh
RMSD bond length	0.011
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless (0.2.14)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.040	67.040	1.960
High resolution limit [Å]	1.860	5.880	1.860
Rmerge	0.065	0.033	0.730
Number of reflections	63101
<I/σ(I)>	16.6
Completeness [%]	99.8	99.9	99.9
Redundancy	7.9	7.8	7.9
CC(1/2)	0.999	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate