7SHP

Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	36.611, 131.109, 78.517
Unit cell angles	90.00, 92.08, 90.00

Refinement procedure

Resolution	29.920 - 2.200
R-factor	0.2094
Rwork	0.207
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4loh
RMSD bond length	0.004
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.920	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.129	0.451
Rmeas	0.148	0.148
Rpim	0.072	0.072
Number of reflections	37181	3649
<I/σ(I)>	17.84	5.74
Completeness [%]	98.0	96.48
Redundancy	4	4
CC(1/2)	0.975	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M potassium formate, 20% PEG3350