4LOI

Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	200
Detector technology	CCD
Collection date	2013-06-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	93.948, 116.408, 36.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.580 - 1.890
R-factor	0.177
Rwork	0.176
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.790
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.890	1.890
Number of reflections	30840
Completeness [%]	99.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	1.6 M NaH2PO4, 0.4 M Na2HPO4, 0.1 M phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K