9S9Y

Structure of protein kinase CK2alpha in complex with AMPPNP crystallized in space group P43212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96770
Spacegroup name	P 43 21 2
Unit cell lengths	128.019, 128.019, 124.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.150 - 1.860
R-factor	0.177
Rwork	0.175
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.228
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.129	2.081
High resolution limit [Å]	1.860	1.860
Rmerge	0.364	3.154
Number of reflections	60043	3002
<I/σ(I)>	7.6	1.7
Completeness [%]	69.4
Redundancy	19.3
CC(1/2)	0.993	0.696

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, 25 % PEG3350 Protein: 5 mg/mL in 500 mM NaCl, 25 mM Tris/HCl, pH 8.5 Drop: 2 to ratio of protein to reservoir Soaking with AMPPNO and MgCl2