9XUT

Crystal structure of MPXV poxin in complex with 3'3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	54.180, 91.850, 93.660
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	54.180 - 1.810
R-factor	0.1856
Rwork	0.184
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.180	1.860
High resolution limit [Å]	1.810	1.810
Rmerge	0.139	0.492
Number of reflections	81352	5918
<I/σ(I)>	11.7
Completeness [%]	97.6
Redundancy	6
CC(1/2)	0.996	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M HEPES pH 7.5, 12% w/v Polyethylene glycol 3,350