6XF4

Crystal structure of STING REF variant in complex with E7766

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97780
Spacegroup name	P 21 21 21
Unit cell lengths	33.733, 77.831, 131.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.950 - 2.770
R-factor	0.2235
Rwork	0.221
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000249875
RMSD bond length	0.003
RMSD bond angle	1.259
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.760	2.770
Rmerge	0.285
Number of reflections	9340	875
<I/σ(I)>	12
Completeness [%]	100.0
Redundancy	12.4
CC(1/2)		0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M HEPES pH 7.5, 0.2M CaCl2, 15% (w/v) PEG 8000