7PRY

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with COVOX-45 and beta-6 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	2021-07-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	86.393, 166.778, 120.180
Unit cell angles	90.00, 108.52, 90.00

Refinement procedure

Resolution	58.320 - 3.100
R-factor	0.2467
Rwork	0.244
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bel
RMSD bond length	0.003
RMSD bond angle	0.546
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]	74.000	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.246
Rpim	0.106
Number of reflections	58580	2879
<I/σ(I)>	6.6	0.5
Completeness [%]	100.0
Redundancy	6.4
CC(1/2)	0.984	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium citrate tribasic dihydrate pH 5.0, and 18% (w/v) PEG 20000