9RFN

Structure of protein kinase CK2alpha mutant E264D associated with the Okur-Chung Neurodevelopmental Syndrome

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	2025-02-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 43 21 2
Unit cell lengths	128.408, 128.408, 124.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.360 - 2.580
R-factor	0.2427
Rwork	0.241
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.486
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.389	2.621
High resolution limit [Å]	2.577	2.577
Rmerge	0.567	3.083
Number of reflections	31814	1658
<I/σ(I)>	7.1	1.5
Completeness [%]	95.0
Redundancy	26
CC(1/2)	0.991	0.381

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 % PEG 3350 Protein: 5 mg per mL in 500 mM NaCl, 25 mM TRIS-HCl, pH 8.5 Drop: 4 microliter protein mixed with 2 microliter reservoir