11GM

Crystal structure of mSTING in complex with 3'3'-cUMP-AMP

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 1 21 1
Unit cell lengths	45.502, 97.052, 75.159
Unit cell angles	90.00, 90.07, 90.00

Refinement procedure

Resolution	33.190 - 1.840
R-factor	0.2016
Rwork	0.199
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	0.967
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.190	1.870
High resolution limit [Å]	1.840	1.840
Number of reflections	96301	5318
<I/σ(I)>	4.7
Completeness [%]	98.0
Redundancy	7.1
CC(1/2)	0.987	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M sodium fluoride, 18% (w/v) PEG 3350