7LM9

Crystal structure of SARS-CoV spike protein receptor-binding domain in complex with a cross-neutralizing antibody CV38-142 Fab isolated from COVID-19 patient

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	C 1 2 1
Unit cell lengths	237.997, 71.877, 49.241
Unit cell angles	90.00, 90.78, 90.00

Refinement procedure

Resolution	49.236 - 1.530
R-factor	0.1708
Rwork	0.170
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmw 2ghv
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.560
High resolution limit [Å]	1.527	4.150	1.530
Rmerge	0.091	0.058	0.794
Rmeas	0.100	0.064	0.905
Rpim	0.039	0.026	0.419
Number of reflections	120261	6352	5241
<I/σ(I)>	7
Completeness [%]	95.7	98.5	84.1
Redundancy	6.4	6	3.8
CC(1/2)		0.995	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M di-ammonium tartrate, 20% (w/v) polyethylene glycol 3350