7Q85

Crystal structure of human STING in complex with MD1193

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-17
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541870
Spacegroup name	P 41 21 2
Unit cell lengths	111.034, 111.034, 35.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.460 - 2.359
R-factor	0.228791971087
Rwork	0.227
R-free	0.25242
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
RMSD bond length	0.003
RMSD bond angle	0.799
Data reduction software	XDS (xdsgui2)
Data scaling software	XDS (xdsgui2)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.460	2.444
High resolution limit [Å]	2.359	2.359
Rmerge	0.080	0.870
Rmeas	0.084	0.913
Number of reflections	9486	888
<I/σ(I)>	22.72	2.5
Completeness [%]	100.0	98
Redundancy	10.6	10.5
CC(1/2)	0.999	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Lithium acetate, 20% (w/v) PEG 3350