9VZG

Harnessing Noncovalent Dimerization Enables an Orally Active STING Agonist for Respiratory Syncytial Virus Therapy

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2025-01-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979137
Spacegroup name	P 41 21 2
Unit cell lengths	110.430, 110.430, 35.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.040 - 1.740
R-factor	0.2016
Rwork	0.200
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.526
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.040	1.802
High resolution limit [Å]	1.740	1.740
Rmerge	0.091
Number of reflections	23403	2288
<I/σ(I)>	21.45
Completeness [%]	99.9
Redundancy	20
CC(1/2)	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.1M citric acid pH 4.0, 5% PEG6000.