11GN

Crystal structure of mSTING in complex with 3'3'-di-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11586
Spacegroup name	P 1 21 1
Unit cell lengths	44.970, 74.504, 96.439
Unit cell angles	90.00, 93.21, 90.00

Refinement procedure

Resolution	44.900 - 1.290
R-factor	0.1789
Rwork	0.179
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.149
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]	44.900	1.310
High resolution limit [Å]	1.290	1.290
Number of reflections	158419	14759
<I/σ(I)>	8
Completeness [%]	99.2
Redundancy	3.6
CC(1/2)	0.997	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM lithium acetate, 20% PEG-3350