8PVP

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 43 21 2
Unit cell lengths	127.009, 127.009, 125.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.740 - 2.600
R-factor	0.22328
Rwork	0.222
R-free	0.25346
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.520
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.740	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	32045	3883
<I/σ(I)>	14.2
Completeness [%]	99.3
Redundancy	8.8
CC(1/2)	0.998	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350