7D30

Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)

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	2020-06-17
Detector	PSI PILATUS 6M
Wavelength(s)	0.97854
Spacegroup name	P 65 2 2
Unit cell lengths	73.384, 73.384, 478.363
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.700 - 2.100
R-factor	0.1991
Rwork	0.195
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j 5m13
RMSD bond length	0.008
RMSD bond angle	0.824
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.140	1.409
Rpim	0.034	0.373
Number of reflections	46317	3572
<I/σ(I)>	12.6	2
Completeness [%]	99.7	96.6
Redundancy	18.6	14.5
CC(1/2)	0.997	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1M cadmium chloride, 30% (v/v) PEG 400, 4%(v/v) 1,3-butanediol, 0.1M sodium acetate pH 4.5