7CYV

Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-03
Detector	PSI PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	206.958, 57.925, 47.207
Unit cell angles	90.00, 100.43, 90.00

Refinement procedure

Resolution	46.430 - 3.130
R-factor	0.2529
Rwork	0.252
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6moj 5c6w
RMSD bond length	0.004
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.430	3.240
High resolution limit [Å]	3.130	3.130
Rmerge	0.272	1.125
Rpim	0.132	0.539
Number of reflections	9847	927
<I/σ(I)>	5.65	1.5
Completeness [%]	98.9	94.68
Redundancy	5.2	5.3
CC(1/2)	0.979	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M lithium sulfate monohydrate, 0.1 M Bis-Tris pH 5.5, 25% w/v polyethylene glycol 3350