6UKV

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9

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	36.510, 109.390, 59.150
Unit cell angles	90.00, 95.69, 90.00

Refinement procedure

Resolution	26.790 - 1.830
R-factor	0.19
Rwork	0.189
R-free	0.20800
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]	58.855	1.862
High resolution limit [Å]	1.830	1.831
Rmerge	0.052	0.528
Rmeas	0.061	0.521
Rpim	0.033	0.280
Total number of observations		19958
Number of reflections	40497	5874
<I/σ(I)>	13.9	2.5
Completeness [%]	99.7	99.9
Redundancy	3.4	3.4
CC(1/2)	0.999	0.819

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