11GL

Crystal structure of mSTING in complex with 2'3'-cUMP-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	45.619, 46.735, 154.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.490 - 1.980
R-factor	0.2457
Rwork	0.245
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.614
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.490	2.090
High resolution limit [Å]	1.980	1.980
Number of reflections	23875	1349
<I/σ(I)>	5.9
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.998	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris pH 8.5, 30% (w/v) PEG1000