8FAH

Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 41 2 2
Unit cell lengths	151.176, 151.176, 192.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 4.220
R-factor	0.2481
Rwork	0.246
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	6.132
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.350
High resolution limit [Å]	4.200	4.200
Number of reflections	13814	800
<I/σ(I)>	5.57
Completeness [%]	82.2
Redundancy	6.1
CC(1/2)	0.980	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1M Succinic acid, 0.1M HEPES pH 7.0 and 2% PEG MME2000