7Q0G

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-49 and FI-3A Fabs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	89.292, 106.538, 215.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	107.810 - 1.820
R-factor	0.1934
Rwork	0.192
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pqy
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.000	2.049
High resolution limit [Å]	1.823	1.823
Rmerge	0.095
Rpim	0.027
Number of reflections	93868	4694
<I/σ(I)>	18.3	1.9
Completeness [%]	94.9
Redundancy	13.8
CC(1/2)	0.999	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M BIS-TRIS pH 6.5, 10% w/v Polyethylene glycol 10,000