8XK2

A neutralizing nanobody VHH60 against wt SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 2 2 21
Unit cell lengths	80.850, 100.610, 227.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.210 - 3.400
R-factor	0.2592
Rwork	0.256
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7VNB/tFold model
RMSD bond length	0.003
RMSD bond angle	0.560
Data reduction software	autoPX
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.210	10.000	3.600
High resolution limit [Å]	3.400	7.140	3.400
Rmerge	0.099	0.184	1.395
Rmeas	0.141	0.192
Rpim	0.099
Number of reflections	26210	1883	4164
<I/σ(I)>	6.56
Completeness [%]	99.8
Redundancy	12.66
CC(1/2)	0.988	0.993	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.0 M Sodium acetate trihydrate, 0.1 M Sodium HEPES 7.5