7BEI

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab

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	2020-11-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	81.419, 150.709, 145.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.750 - 2.300
R-factor	0.186
Rwork	0.184
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zcz
RMSD bond length	0.005
RMSD bond angle	0.725
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]	52.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.192	0.990
Number of reflections	33837	847
<I/σ(I)>	12.5	0.5
Completeness [%]	84.4
Redundancy	22
CC(1/2)	0.997	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.09 M of NPS (nitrate, phosphate and sulphate), 0.1 M MES/imidazole pH 6.5, 10% (w/v) PEG 8000 and 20% (v/v) ethylene glycol