8Q93

Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 4 3 2
Unit cell lengths	155.615, 155.615, 155.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 3.100
R-factor	0.2033
Rwork	0.200
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.771
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.620	3.210
High resolution limit [Å]	3.100	3.100
Rmeas	0.378	3.811
Rpim	0.043	0.421
Number of reflections	12249	1181
<I/σ(I)>	20.65	2.36
Completeness [%]	99.9
Redundancy	76.9
CC(1/2)	0.997	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	28% PEG smear broad, 50 mM arginine, 50 mM MSG, 5% Glycerol