7D2Z

Structure of sybody SR31 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	2020-05-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 31 2 1
Unit cell lengths	92.393, 92.393, 101.145
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.620 - 1.970
R-factor	0.1835
Rwork	0.182
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.008
RMSD bond angle	0.868
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]	19.620	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.091
Rpim	0.021	0.336
Number of reflections	35708	3516
<I/σ(I)>	19.48	1.67
Completeness [%]	99.8	99.97
Redundancy	19.8	18.8
CC(1/2)	0.999	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0M sodium formate, 0.1M sodium acetate trihydrate pH 4.6