7BEK

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)

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 2 2 21
Unit cell lengths	83.020, 149.410, 145.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 2.040
R-factor	0.2008
Rwork	0.200
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ebj
RMSD bond length	0.002
RMSD bond angle	0.562
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]	51.400	2.080
High resolution limit [Å]	2.040	2.040
Rmerge	0.118
Rpim	0.033
Number of reflections	57747	2799
<I/σ(I)>	13.1	0.5
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.999	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	294	0.15 M (NH4)2SO4, 0.1 M Tris pH 7.6 and 14.6% (w/v) PEG 4000