8IZU

Crystal structure of the N-terminal domain (residues 1-137) of MPXV A7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97851
Spacegroup name	C 2 2 21
Unit cell lengths	37.903, 140.327, 153.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.450 - 2.540
R-factor	0.20288
Rwork	0.201
R-free	0.23776
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8izt
RMSD bond length	0.008
RMSD bond angle	1.578
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.450	2.650
High resolution limit [Å]	2.540	2.540
Number of reflections	14013	1676
<I/σ(I)>	14.1
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	0.997	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2000