7PS6

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-44 and Beta-54 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	2021-07-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 21 21 2
Unit cell lengths	129.377, 112.567, 99.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.930 - 2.260
R-factor	0.2166
Rwork	0.215
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bep
RMSD bond length	0.002
RMSD bond angle	0.553
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]	65.000	2.300
High resolution limit [Å]	2.260	2.260
Rmerge	0.096
Rpim	0.029
Number of reflections	68653	3128
<I/σ(I)>	14.2	0.3
Completeness [%]	99.5
Redundancy	12.3
CC(1/2)	0.974	0.265

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Citric acid pH 3.5 and 25% (w/v) PEG 3350