7DET

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	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	94.970, 42.254, 104.414
Unit cell angles	90.00, 104.57, 90.00

Refinement procedure

Resolution	46.472 - 2.200
R-factor	0.2144
Rwork	0.212
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cjf
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	0.514
Number of reflections	41108	1853
<I/σ(I)>	18.6	1.74
Completeness [%]	99.1
Redundancy	10.1
CC(1/2)	0.994	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2M sodium chloride, 0.1M Tris pH 8.5, 29% w/v Polyethylene glycol 3350