9WHF

Crystal Structure of Duck STING bound to diABZI3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	P 41 21 2
Unit cell lengths	67.050, 67.050, 98.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 1.650
R-factor	0.195
Rwork	0.194
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.050	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	27682	1353
<I/σ(I)>	17.1
Completeness [%]	100.0
Redundancy	25.6
CC(1/2)	0.999	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.05 M Cesium chloride, 0.1 M MES monohydrate pH6.5, 30%v/v Jeffamine M-600