7DEO

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 21 21 2
Unit cell lengths	156.080, 160.609, 42.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.490 - 2.500
R-factor	0.1896
Rwork	0.187
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cjf
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.128	0.525
Number of reflections	70511	4161
<I/σ(I)>	7.2
Completeness [%]	99.4
Redundancy	4.4
CC(1/2)	0.979	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1% w/v Tryptone, 0.001M Sodium azide, 0.05M HEPES sodium pH 7.0, 12% w/v Polyethylene glycol 3350