9EPZ

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337

This is a non-PDB format compatible entry.

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)	1.000030
Spacegroup name	P 43 21 2
Unit cell lengths	128.158, 128.158, 124.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.310 - 2.650
R-factor	0.21436
Rwork	0.213
R-free	0.24473
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.571
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	2.780
High resolution limit [Å]	2.650	2.650
Number of reflections	30650	4000
<I/σ(I)>	9.8
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.995	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate