6YEA

Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 41 21 2
Unit cell lengths	110.948, 110.948, 35.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.085 - 2.805
R-factor	0.2096
Rwork	0.208
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.085	2.906
High resolution limit [Å]	2.800	2.800
Number of reflections	5820	554
<I/σ(I)>	7.1	0.86
Completeness [%]	99.7
Redundancy	14
CC(1/2)	0.989	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.2M d-glucose, 0.2M d-mannose, 0.2M d-galactose, 0.2M l-fucose, 0.2M d-xylose, 0.2M N-acetyl-d-glucosamine, 0.1M bicine/Trizma base pH 8.5