8P05

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92

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	2023-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999999
Spacegroup name	P 43 21 2
Unit cell lengths	127.300, 127.300, 124.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.050 - 2.450
R-factor	0.21122
Rwork	0.209
R-free	0.25499
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.567
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]	45.050	2.550
High resolution limit [Å]	2.450	2.450
Number of reflections	38222	4227
<I/σ(I)>	15.1
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.999	0.858

Crystallization Conditions

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