4QXR

Crystal structure of hSTING(S162A/G230I/Q266I) 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 6
Unit cell lengths	148.576, 148.576, 36.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.370
R-factor	0.1893
Rwork	0.187
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.203
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]	128.671
High resolution limit [Å]	2.370
Number of reflections	19048
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	0.2 M Ca(Ac)2, 15% PEG3000, 0.1 M LiCl, 0.1 M NaAc, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K