6UKZ

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	36.440, 109.130, 59.030
Unit cell angles	90.00, 95.41, 90.00

Refinement procedure

Resolution	22.250 - 1.520
R-factor	0.199
Rwork	0.198
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 6UKM
RMSD bond length	0.010
RMSD bond angle	1.010
Data scaling software	Aimless (0.6.2)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.278	1.548
High resolution limit [Å]	1.520	1.522
Rmerge	0.027	0.493
Rmeas	0.031	0.481
Rpim	0.017	0.254
Total number of observations		35570
Number of reflections	67964	10157
<I/σ(I)>	20.2	2.5
Completeness [%]	96.9	99.6
Redundancy	3.5	3.5
CC(1/2)	1.000	0.853

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