5CU4

Crystal structure of CK2alpha bound to CAM4066

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	58.592, 46.194, 62.622
Unit cell angles	90.00, 112.66, 90.00

Refinement procedure

Resolution	36.080 - 1.560
R-factor	0.1754
Rwork	0.174
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.012
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER (2.5.7)
Refinement software	BUSTER (2.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.190	46.190	1.590
High resolution limit [Å]	1.560	8.540	1.560
Rmerge	0.071	0.030	0.815
Rpim	0.046	0.020	0.591
Total number of observations	138379	849	4081
Number of reflections	42800
<I/σ(I)>	11.3	34	1.5
Completeness [%]	96.9	95.8	76.9
Redundancy	3.2	3	2.4
CC(1/2)	0.997	0.997	0.452

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