9TVT

CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab and 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	2021-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	220.167, 65.202, 204.023
Unit cell angles	90.00, 94.47, 90.00

Refinement procedure

Resolution	49.950 - 2.850
Rwork	0.206
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.128	1.918
Rmeas	0.138	2.068
Rpim	0.052	0.769
Total number of observations		32042
Number of reflections	68147	4513
<I/σ(I)>	10.8	1.2
Completeness [%]	99.9
Redundancy	7	7.1
CC(1/2)	0.998	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	8.5	293.15	0.1 M Tris pH 8.5 12% PEG 8000 0.2 M AmSO4