8FHY

Crystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	118.919, 84.127, 119.859
Unit cell angles	90.00, 113.68, 90.00

Refinement procedure

Resolution	99.940 - 2.530
R-factor	0.197
Rwork	0.195
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.554
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]	109.800	2.580
High resolution limit [Å]	2.530	2.530
Number of reflections	71266	3598
<I/σ(I)>	11.4
Completeness [%]	97.8
Redundancy	6.6
CC(1/2)	0.996	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3,350