7BEP

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 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	2020-09-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	108.760, 113.221, 302.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.930 - 2.610
R-factor	0.2043
Rwork	0.203
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bek
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.000	2.650
High resolution limit [Å]	2.610	2.610
Rmerge	0.112
Rpim	0.044
Number of reflections	114437	5600
<I/σ(I)>	13.3	0.5
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.998	0.344

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	containing 0.1 M amino acids (Glu, Ala, Gly, Lys, Ser), 0.1 M MES/imidazole/ pH 6.5, 10% (w/v) PEG 20000 and 20% (w/v) PEG MME 550.