6UKW

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10

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	2018-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	36.440, 109.520, 59.320
Unit cell angles	90.00, 95.81, 90.00

Refinement procedure

Resolution	25.390 - 1.970
R-factor	0.211
Rwork	0.210
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 6UKM
RMSD bond length	0.010
RMSD bond angle	0.960
Data scaling software	Aimless (0.7.1)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.012	2.008
High resolution limit [Å]	1.970	1.974
Rmerge	0.120	0.834
Rmeas	0.143	0.841
Rpim	0.077	0.449
Total number of observations		13409
Number of reflections	31056	4160
<I/σ(I)>	8.7	4.1
Completeness [%]	95.5	97.7
Redundancy	3.2	3.3
CC(1/2)	0.987	0.644

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