6FVF

The Structure of CK2alpha with CCh503 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	58.987, 45.250, 62.751
Unit cell angles	90.00, 111.15, 90.00

Refinement procedure

Resolution	58.530 - 1.470
R-factor	0.201
Rwork	0.200
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cu6
RMSD bond length	0.010
RMSD bond angle	0.990
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]	58.530	58.530	1.510
High resolution limit [Å]	1.470	6.570	1.470
Rmerge	0.055	0.084	1.038
Rmeas	0.066	0.103	1.248
Rpim	0.037	0.059	0.684
Number of reflections	52646
<I/σ(I)>	9
Completeness [%]	99.8	99.2	99.6
Redundancy	3.2	3.1	3.2
CC(1/2)	0.994	0.949	0.608

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