9PPL

Structure of STING in complex with MK-2118

This is a non-PDB format compatible entry.

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	2016-05-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	90.080, 78.080, 36.470
Unit cell angles	90.00, 97.22, 90.00

Refinement procedure

Resolution	18.840 - 2.010
R-factor	0.1825
Rwork	0.182
R-free	0.18570
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.040	2.110
High resolution limit [Å]	2.010	2.010
Rmerge	0.051	0.362
Rmeas	0.062	0.434
Rpim	0.034	0.236
Total number of observations	53939	7791
Number of reflections	16545	2396
<I/σ(I)>	13.8	2.8
Completeness [%]	98.4
Redundancy	3.3	3.3
CC(1/2)	0.997	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-30% w/v PEG6000, 100 mM Tris, pH 8.5, 200 mM sodium chloride, 2 mM DTT