7ZVK

Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	I 41
Unit cell lengths	145.256, 145.256, 36.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.930 - 2.830
R-factor	0.2324
Rwork	0.230
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	XDS (xdsapp 2.0)
Data scaling software	XDS (xdsapp 2.0)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.930	2.931
High resolution limit [Å]	2.830	2.830
Rmerge	0.200	1.739
Rmeas	0.214	1.852
Rpim	0.074	0.628
Number of reflections	9289	898
<I/σ(I)>	9.77	1.23
Completeness [%]	99.8	99.78
Redundancy	8.2	8.5
CC(1/2)	0.994	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Lithium acetate, 20% (w/v) PEG 3350