4F5Y

Crystal structure of human STING CTD complex with C-di-GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97891
Spacegroup name	P 21 21 21
Unit cell lengths	73.145, 81.438, 91.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.836 - 2.396
R-factor	0.2146
Rwork	0.211
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.396	5.170	2.400
Rmerge	0.089	0.040	0.501
Number of reflections	22031
<I/σ(I)>	25.05	54.96	3.89
Completeness [%]	100.0	99.9	100
Redundancy	7.2	6.9	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	15% PEG 8000, 0.08M sodium cacodylate pH6.5, 0.16M calcium acetate and 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K