9EPW

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336

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	72.063, 72.063, 133.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.300
R-factor	0.26137
Rwork	0.259
R-free	0.30791
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.456
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]	48.980	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	16320	1541
<I/σ(I)>	5.5	1.6
Completeness [%]	100.0
Redundancy	12.6
CC(1/2)	0.991	0.742

Crystallization Conditions

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