7BEN

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 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	2020-11-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	93.188, 149.794, 229.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.380 - 2.500
R-factor	0.2425
Rwork	0.240
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bel
RMSD bond length	0.003
RMSD bond angle	0.584
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]	59.100	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.283
Rpim	0.056
Number of reflections	111578	5490
<I/σ(I)>	7.3	0.3
Completeness [%]	100.0
Redundancy	26.6
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M BIS-TRIS pH 6.5, 16% (w/v) PEG 10000