6FVG

The Structure of CK2alpha with CCh507 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	2016-06-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92818
Spacegroup name	P 1 21 1
Unit cell lengths	60.183, 45.931, 63.706
Unit cell angles	90.00, 111.22, 90.00

Refinement procedure

Resolution	56.100 - 1.600
R-factor	0.208
Rwork	0.206
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cu6
RMSD bond length	0.010
RMSD bond angle	0.920
Data reduction software	DIALS
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.100	56.100	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.049	0.042	0.727
Rmeas	0.058	0.049	0.866
Rpim	0.031	0.026	0.466
Number of reflections	43028
<I/σ(I)>	9.2
Completeness [%]	99.9	99.6	99.8
Redundancy	3.3	3.5	3.3
CC(1/2)	0.997	0.992	0.745

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