6S26

Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	93.776, 116.478, 35.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.522 - 2.050
R-factor	0.1974
Rwork	0.196
R-free	0.24290
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]	36.522	2.123
High resolution limit [Å]	1.940	2.050
Rmerge	0.135	1.555
Rmeas	0.146	1.673
Number of reflections	25309	2506
<I/σ(I)>	11.4	1.21
Completeness [%]	99.2	100
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.6 M Sodium dihydrogen phosphate/0.4 M dipotassium hydrogen phosphate, 0.1 M phosphate-citrate pH 4.2