7E7Y

Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-27
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	93.817, 126.631, 138.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.090 - 2.410
R-factor	0.1987
Rwork	0.197
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ch5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	2.498
High resolution limit [Å]	2.410	2.412
Number of reflections	63988	5923
<I/σ(I)>	11.03
Completeness [%]	98.0
Redundancy	13.5
CC(1/2)	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, and 18% (w/v) polyethylene glycol 8000