7ZXB

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

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	2019-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 41 21 2
Unit cell lengths	111.803, 111.803, 35.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 3.000
R-factor	0.2342
Rwork	0.232
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
RMSD bond length	0.002
RMSD bond angle	0.515
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]	35.360	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.161	1.256
Rmeas	0.167	1.294
Rpim	0.041	0.308
Number of reflections	4804	465
<I/σ(I)>	17.29	2.59
Completeness [%]	99.6	100
Redundancy	16.2	17.3
CC(1/2)	0.998	0.806

Crystallization Conditions

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