8A2H

human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541870
Spacegroup name	P 21 21 2
Unit cell lengths	95.187, 117.980, 36.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.140 - 2.690
R-factor	0.2473
Rwork	0.245
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.140	44.140	2.850
High resolution limit [Å]	2.690	7.960	2.690
Rmerge	0.178	0.057	0.974
Rmeas	0.213	0.066	1.155
Total number of observations	72469
Number of reflections	21745	854	3435
<I/σ(I)>	6.19	19.35	1.24
Completeness [%]	98.5	97.9	96.5
Redundancy	3.333	3.724	3.378
CC(1/2)	0.984	0.996	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	200mM ammonium nitrate, 20% (w/v) PEG 3350, 10mM EDTA