4F9G

Crystal structure of STING complex with Cyclic di-GMP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	60.027, 74.200, 60.013
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	38.298 - 2.950
R-factor	0.2099
Rwork	0.205
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f9e
RMSD bond length	0.011
RMSD bond angle	1.534
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.066	0.035	0.485
Number of reflections	11107
<I/σ(I)>	15.7
Completeness [%]	98.9	91.7	100
Redundancy	5.8	5.3	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	12-15% PEG8000, 0.08 M sodium cacodylate pH 6.3-6.5, 0.16 M calcium acetate and 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K