6YDB

Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-24
Detector	PSI PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 41 21 2
Unit cell lengths	111.073, 111.073, 35.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.274 - 2.801
R-factor	0.2028
Rwork	0.201
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.275	2.900
High resolution limit [Å]	2.801	2.800
Number of reflections	5861	561
<I/σ(I)>	9.71
Completeness [%]	99.1
Redundancy	15.7
CC(1/2)	0.997	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium chloride, 0.1 M Na/K phosphate pH 6.2, 40% (v/v) PEG 400