9QVT

Crystal structure of STING CTD in complex with potent agonist D5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	89.681, 75.595, 34.138
Unit cell angles	90.00, 97.75, 90.00

Refinement procedure

Resolution	57.579 - 2.305
Rwork	0.342
R-free	0.38810
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.8.2)
Phasing software	BUSTER (2.10.4 (10-JUL-2024))
Refinement software	BUSTER (2.10.4 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.580	2.575
High resolution limit [Å]	2.305	2.305
Rmerge	0.095	1.474
Rmeas	0.103	1.587
Rpim	0.040	0.587
Number of reflections	6416	321
<I/σ(I)>	10.2	1.4
Completeness [%]	82.3	40.4
Redundancy	6.8	7.2
CC(1/2)	0.959	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M NaNO3 (Salt) 20 %w/v PEG 3350 (Precipitant) 10 %v/v EG (Precipitant) 0.1 M BIS-TRIS prop 7.5 pH (Buffer)