9XUJ

Crystal structure of MPXV poxin

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	2024-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	54.240, 91.070, 94.110
Unit cell angles	90.00, 90.08, 90.00

Refinement procedure

Resolution	46.960 - 1.750
R-factor	0.2022
Rwork	0.201
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.808
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]	94.110	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.050	0.433
Rmeas		0.511
Rpim		0.264
Number of reflections	90974	6203
<I/σ(I)>	18.9	2.6
Completeness [%]	98.8
Redundancy	5.8
CC(1/2)	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Succinic acid pH 7.0, 15% w/v Polyethylene glycol 3,350