6UKY

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	110.770, 110.770, 35.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.390 - 1.950
R-factor	0.202
Rwork	0.201
R-free	0.22700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pdbid 6UKM
RMSD bond length	0.010
RMSD bond angle	1.020
Data scaling software	Aimless (0.5.28)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.390	1.956
High resolution limit [Å]	1.950	1.950
Rmerge	0.126	1.348
Rmeas	0.132	1.090
Rpim	0.037	0.299
Total number of observations		31524
Number of reflections	16545	2404
<I/σ(I)>	13.3	2.5
Completeness [%]	98.1	100
Redundancy	12.7	13.3
CC(1/2)	0.996	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	298	25% PEG 6000, 100 mM Tris, 200 mM NaCl, 2 mM DTT