8P06

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999999
Spacegroup name	P 43 21 2
Unit cell lengths	127.821, 127.821, 124.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.230 - 2.400
R-factor	0.20341
Rwork	0.202
R-free	0.23728
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.372
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]	45.230	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	40995	4214
<I/σ(I)>	20.2
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	1.000	0.643

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