6YPG

Crystal Structure of CK2alpha with Compound 2 bound to second crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	57.653, 45.661, 63.817
Unit cell angles	90.00, 111.05, 90.00

Refinement procedure

Resolution	59.560 - 1.510
R-factor	0.2376
Rwork	0.237
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cu6
Data reduction software	XDS
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.560	59.560	1.550
High resolution limit [Å]	1.510	6.750	1.510
Rmerge	0.055	0.022	1.247
Rmeas	0.060	0.025	1.348
Rpim	0.023	0.010	0.510
Total number of observations	316989	3682	23319
Number of reflections	47579	592	3414
<I/σ(I)>	15.5	55.7	1.5
Completeness [%]	97.6	99.7	95.7
Redundancy	6.7	6.2	6.8
CC(1/2)	0.998	0.997	0.604

Crystallization Conditions

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