6YDZ

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

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	2018-04-04
Detector	PSI PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 41 21 2
Unit cell lengths	110.962, 110.962, 35.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.231 - 2.900
R-factor	0.2194
Rwork	0.218
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.231	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.189	1.763
Rmeas	0.199	1.850
Number of reflections	5269	512
<I/σ(I)>	12.05	1.34
Completeness [%]	99.9
Redundancy	10.4
CC(1/2)	0.997	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5% w/v PEG 1000, 12.5% w/v PEG3350, 12.5% v/v MPD, carboxylic acid 0.02 M, 0.1 M bicine/Trizma base pH 8.5