7SHO

Crystal structure of hSTING in complex with c[2',3'-(ara-2'-G, ribo-3'-A)-MP] (RJ242)

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	C 1 2 1
Unit cell lengths	89.347, 77.809, 36.204
Unit cell angles	90.00, 96.92, 90.00

Refinement procedure

Resolution	29.730 - 2.250
R-factor	0.1931
Rwork	0.192
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
RMSD bond length	0.006
RMSD bond angle	0.772
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]	29.730	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.050	0.481
Rmeas	0.058	0.561
Rpim	0.028	0.284
Number of reflections	11675	1137
<I/σ(I)>	16.67	2.62
Completeness [%]	98.9	98.61
Redundancy	3.9	3.7
CC(1/2)	0.998	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Potassium Sodium tartrate, 20% PEG3350