8EFN

Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	51.469, 82.702, 84.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.840 - 1.730
R-factor	0.1721
Rwork	0.171
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8efm
RMSD bond length	0.004
RMSD bond angle	0.728
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.840	1.760
High resolution limit [Å]	1.730	1.730
Number of reflections	38535	38535
<I/σ(I)>	12.4
Completeness [%]	99.9	98.5
Redundancy	12.3	3.6
CC(1/2)	0.998	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	19% PEG 3350, 100 mM Bis-Tris propane, pH 6.4, 250 mM MgCl2