9HXU

Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment C02

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	128.877, 128.877, 123.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.300 - 2.200
R-factor	0.1924
Rwork	0.192
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.130	2.303
High resolution limit [Å]	2.200	2.205
Rmerge	0.082	2.997
Rpim	0.016	0.571
Number of reflections	48185	2409
<I/σ(I)>	23.3	1.3
Completeness [%]	90.8
Redundancy	26.7
CC(1/2)	0.999	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir:200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 35 % (w/v) PEG 3350 Protein/Ligand mix: 5 mg per mL CK2alpha1-335, 100 mM ligand/0.5 mM CX-4945, 10 % DMSO prequilibrated Drop: 4 microliter protein/ligand mix, 2 microliter reservoir solution