4QXO

Crystal structure of hSTING(group2) in complex with DMXAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	200
Detector technology	PIXEL
Collection date	2014-02-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.550
Spacegroup name	P 61 2 2
Unit cell lengths	62.921, 62.921, 196.054
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.880
R-factor	0.1765
Rwork	0.174
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.580
Data reduction software	RAPD
Data scaling software	RAPD
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	54.491
High resolution limit [Å]	1.880
Number of reflections	19022
Completeness [%]	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	2 M LiCl, 10% PEG6000, 0.01 M CaCl2, 0.1 M Tris, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K