7S83

Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02

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	2021-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	51.052, 62.791, 147.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.520
R-factor	0.2352
Rwork	0.233
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q9b
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.930	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	30705	1609
<I/σ(I)>	11.57
Completeness [%]	99.5
Redundancy	13
CC(1/2)	0.996	0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	14.5% PEG20000, 0.1M HEPES pH7.0