7MHC

Structure of human STING in complex with MK-1454

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	88.120, 72.740, 36.370
Unit cell angles	90.00, 100.97, 90.00

Refinement procedure

Resolution	35.700 - 2.320
R-factor	0.1935
Rwork	0.192
R-free	0.22430
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ksy
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	BUSTER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.700	2.329
High resolution limit [Å]	2.320	2.321
Rmeas	0.052	0.586
Rpim	0.028	0.309
Total number of observations		4931
Number of reflections	9280	1422
<I/σ(I)>	13.4	1.9
Completeness [%]	94.5	98
Redundancy	3.3	3.4
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M TRIS; 0.2 M NaCl; 28.0 w/v PEG 6K