6H3T

Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 1C11

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)	0.980089
Spacegroup name	C 1 2 1
Unit cell lengths	262.789, 44.397, 93.593
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	46.773 - 2.836
R-factor	0.2177
Rwork	0.213
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6H3X along with a Phyre2-generated model of the scFv 1C11 antibody fragment
RMSD bond length	0.004
RMSD bond angle	0.819
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]	46.773	3.170
High resolution limit [Å]	2.836	2.836
Rmerge	0.070	0.810
Rmeas	0.080	0.870
Rpim	0.030	0.330
Number of reflections	16839	842
<I/σ(I)>	15.3	2.3
Completeness [%]	64.2	11.4
Redundancy	6.8	6.8
CC(1/2)	1.000	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	1.0 uL of a 21.7 mg/mL solution of the GPC-purified complex in 20 mM Tris-Cl pH 8.0, 150 mM NaCl was added to 0.75 uL of reservoir solution containing 0.1 M sodium acetate, 8% v/v 2-propanol, 25% w/v PEG 4K