9XUP

Crystal structure of MPXV poxin in complex with Gp[2'-5']Ap[3']

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	2024-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	61.980, 49.360, 75.320
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	74.220 - 2.010
R-factor	0.19
Rwork	0.188
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.978
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]	74.220	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.230	0.657
Number of reflections	29504	2116
<I/σ(I)>	9.6	3.3
Completeness [%]	97.9
Redundancy	5.3
CC(1/2)	0.975	0.417

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25% w/v Polyethylene glycol 1,500