8C9K

Structure of Mpox virus poxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	54.430, 94.130, 94.670
Unit cell angles	90.00, 105.26, 90.00

Refinement procedure

Resolution	41.090 - 1.720
R-factor	0.2138
Rwork	0.214
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.717
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.090	1.782
High resolution limit [Å]	1.720	1.720
Number of reflections	200402	20469
<I/σ(I)>	8.71	0.84
Completeness [%]	99.4
Redundancy	3.4
CC(1/2)	0.998	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM HEPES pH 7.5, 10% (w/v) PEG 8000