6H3U

Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980097
Spacegroup name	P 31 2 1
Unit cell lengths	175.842, 175.842, 153.684
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.554 - 3.168
R-factor	0.2019
Rwork	0.200
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6H3T along with a Phyre2-generated model of the scFv 4B6 antibody fragment
RMSD bond length	0.004
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.554	3.610
High resolution limit [Å]	3.168	3.170
Rmerge	0.220	1.780
Rmeas	0.230	1.820
Rpim	0.050	0.410
Number of reflections	27774	1391
<I/σ(I)>	11.4	2
Completeness [%]	59.1	9.3
Redundancy	20.9	18.7
CC(1/2)	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.75 uL of a 22.8 mg/mL solution of the GPC-purified complex in 20 mM Tris-Cl pH 8.0, 150 mM NaCl were added to 0.75 uL of reservoir solution containing 0.1 M sodium acetate pH 4.6, 3.5 M sodium formate