7OR9

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 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	2021-02-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	70.730, 114.470, 177.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.230 - 2.340
R-factor	0.1953
Rwork	0.194
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nx6
RMSD bond length	0.002
RMSD bond angle	0.541
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]	70.000	2.380
High resolution limit [Å]	2.340	2.340
Rmerge	0.100
Rpim	0.030
Number of reflections	53251	1437
<I/σ(I)>	16.8	0.8
Completeness [%]	86.2
Redundancy	11.6
CC(1/2)	0.999	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	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% (v/v) PEG MME 550.