7CH4

Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-06-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	197.852, 85.466, 57.077
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	45.470 - 3.150
R-factor	0.2277
Rwork	0.225
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.200
High resolution limit [Å]	3.150	3.150
Number of reflections	16421
<I/σ(I)>	7.78
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.960	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Potassium phosphate dibasic(pH 9.2),20% w/v Polyethylene glycol 3350