7Q0H

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-50 and Beta-54

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	2021-09-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	102.207, 42.472, 138.406
Unit cell angles	90.00, 99.94, 90.00

Refinement procedure

Resolution	88.620 - 3.650
R-factor	0.2572
Rwork	0.255
R-free	0.30280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ps6
RMSD bond length	0.003
RMSD bond angle	0.595
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]	89.000	3.710
High resolution limit [Å]	3.650	3.650
Rmerge	0.550
Rpim	0.226
Number of reflections	13577	655
<I/σ(I)>	3.7	0.5
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.950	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris pH 8.0, 28% w/v Polyethylene glycol 4,000