9KYA

Crystal Structure of human STING

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	81.147, 93.036, 74.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.580 - 1.890
R-factor	0.2021
Rwork	0.199
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4emt
RMSD bond length	0.008
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.580	1.940
High resolution limit [Å]	1.890	1.890
Number of reflections	22901	3104
<I/σ(I)>	24.27
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.16 M Calcium acetate hydrate, 0.08 M Sodium cacodylate, pH 6.5, 14.4 % w/v PEG 8000, 20 % v/v Glycerol