8BSE

CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	56.177, 110.018, 149.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 1.900
R-factor	0.17885
Rwork	0.177
R-free	0.21608
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.109	2.631
Rmeas	0.114	2.731
Rpim	0.031	0.730
Total number of observations		61931
Number of reflections	73863	4501
<I/σ(I)>	14.8	1.1
Completeness [%]	100.0
Redundancy	13.6	13.8
CC(1/2)	0.999	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	18% PEG Smear Broad 0.08 M MgCl2 0.08 M tri-sodium citrate 0.1 M Bis-Tris pH 6.0