6S27

Crystal structure of human wild type STING in complex with 2'3'-cyclic-GMP-2'F-2'dAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-11
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 41 21 2
Unit cell lengths	111.441, 111.441, 35.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.240 - 2.802
R-factor	0.2109
Rwork	0.204
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.240	2.902
High resolution limit [Å]	2.802	2.802
Rmerge	0.157	1.231
Rmeas	0.166	1.297
Rpim	0.053	0.402
Number of reflections	5811	564
<I/σ(I)>	14.86
Completeness [%]	99.3	98.6
Redundancy	9.2	9.7
CC(1/2)	0.997	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Calcium Chloride, 20% (w/v) PEG 3350