8Z37

Crystal structure of human STING ligand binding domain.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	200
Detector technology	CCD
Collection date	2023-10-06
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	80.714, 89.477, 72.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.160 - 2.400
R-factor	0.2214
Rwork	0.220
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.675
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	6.420
High resolution limit [Å]	2.400	2.400
Number of reflections	10639	2141
<I/σ(I)>	19.6
Completeness [%]	99.9
Redundancy	3.7
CC(1/2)	0.970	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		289	0.16 M calcium acetate, 0.08 M sodium cacodylate, pH [6.5], 14.4 % w/v PEG 8000, 20 % v/v glycerol