7EBL

Bacterial STING in complex with c-di-GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-10
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 1 21 1
Unit cell lengths	35.247, 98.599, 50.655
Unit cell angles	90.00, 108.18, 90.00

Refinement procedure

Resolution	24.180 - 2.170
R-factor	0.1794
Rwork	0.177
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ebd
RMSD bond length	0.004
RMSD bond angle	0.810
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.082	0.320
Rpim	0.052	0.215
Number of reflections	17092	1680
<I/σ(I)>	15.7	3.1
Completeness [%]	98.3	96.9
Redundancy	3.5	3
CC(1/2)		0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M sodium cacodylate trihydrate pH 6.5, 0.2M sodium acetate trihydrate, 15% w/v polyethylene glycol 8000