7A90

WT STING in complex with 3',3'-c-di[2'FdAM(PS)]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-27
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	110.811, 110.811, 35.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.040 - 3.185
R-factor	0.2193
Rwork	0.217
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.042	3.299
High resolution limit [Å]	3.185	3.185
Number of reflections	4032	390
<I/σ(I)>	5.84	1.91
Completeness [%]	99.8
Redundancy	11.6
CC(1/2)	0.967	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M tri-Potassium Citrate monohydrate, 20% (w/v) PEG 3350, 0.1 M Natrium Citrate, 50 mM EDTA