7BEL

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 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	C 1 2 1
Unit cell lengths	180.081, 140.721, 130.976
Unit cell angles	90.00, 124.56, 90.00

Refinement procedure

Resolution	49.410 - 2.530
R-factor	0.2512
Rwork	0.249
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bek
RMSD bond length	0.003
RMSD bond angle	0.612
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]	58.900	2.570
High resolution limit [Å]	2.530	2.530
Rmerge	0.189
Number of reflections	88040	3392
<I/σ(I)>	5.6	0.3
Completeness [%]	97.8
Redundancy	6.6
CC(1/2)	0.995	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	0.15 M (NH4)2SO4, 0.1 M Tris pH 8.0 and 15% (w/v) PEG 4000