7DEU

Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	84.600, 84.600, 158.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.703 - 2.100
R-factor	0.2098
Rwork	0.209
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cjf
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.633
Number of reflections	34362	2765
<I/σ(I)>	23.8	6.7
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.8M Potassium sodium tartrate tetrahydrate, 0.1M Tris pH 8.5, 0.5% w/v Polyethylene glycol monomethyl ether 5000