7SPP

Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 2C02

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	2021-07-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	61.448, 74.229, 75.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.330 - 1.960
R-factor	0.1899
Rwork	0.188
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ym0 4hgk
RMSD bond length	0.011
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.330	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.056	1.278
Rmeas	0.065
Rpim	0.041
Number of reflections	24971	1764
<I/σ(I)>	11.4
Completeness [%]	98.7	98.9
Redundancy	4	4
CC(1/2)	0.998	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium sulfate and 20 % (w/v) PEG 3350