8DF5

SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	78.531, 126.773, 145.663
Unit cell angles	91.78, 103.66, 96.02

Refinement procedure

Resolution	46.270 - 2.700
R-factor	0.1794
Rwork	0.177
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tn0
RMSD bond length	0.007
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.270	2.800
High resolution limit [Å]	2.700	2.700
Rpim	0.057	0.487
Number of reflections	180932	13019
<I/σ(I)>	12.3
Completeness [%]	90.8
Redundancy	3.7
CC(1/2)	0.995	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M Tris (base)/bicine pH 8.5, 3% w/v D- sorbitol