8SFM

Crystal structure of the engineered SsoPox variant IVB10 in alternate state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.774901
Spacegroup name	C 2 2 21
Unit cell lengths	64.110, 74.610, 137.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.720 - 1.500
R-factor	0.2023
Rwork	0.201
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.850	1.600
High resolution limit [Å]	1.500	1.500
Rmeas	0.069	0.461
Number of reflections	101746	17921
<I/σ(I)>	11.5
Completeness [%]	99.6
Redundancy	3.72	3.77
CC(1/2)	0.997	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% (w/v) PEG 8000 and Tris-HCl buffer (pH 8.5)