7PS0

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with beta-24 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	2021-05-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	81.820, 110.830, 85.359
Unit cell angles	90.00, 102.75, 90.00

Refinement procedure

Resolution	65.250 - 2.920
R-factor	0.2243
Rwork	0.222
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pry
RMSD bond length	0.002
RMSD bond angle	0.523
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]	67.000	2.970
High resolution limit [Å]	2.920	2.920
Rmerge	0.482
Rpim	0.108
Number of reflections	32399	1476
<I/σ(I)>	4.8	0.6
Completeness [%]	99.7	93.1
Redundancy	20.9
CC(1/2)	0.988	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 0.1 M Tris pH 7.5 and 20% (w/v) PEG 5000 MME.