8BSF

CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 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	2021-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	104.693, 71.197, 121.245
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	48.070 - 2.200
R-factor	0.19757
Rwork	0.196
R-free	0.22943
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.614
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]	48.070	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.096	1.568
Rmeas	0.104	1.690
Rpim	0.039	0.627
Total number of observations	317904	27580
Number of reflections	44882	3839
<I/σ(I)>	13	1.3
Completeness [%]	98.9
Redundancy	7.1	7.2
CC(1/2)	0.998	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.04 M potassium dihydrogen phosphate 18 % PEG 8000 20 % glycerol