7BEH

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 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	2020-10-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	104.020, 150.860, 46.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.270 - 2.300
R-factor	0.214
Rwork	0.213
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zcz
RMSD bond length	0.003
RMSD bond angle	0.523
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	0.107
Rpim	0.032
Number of reflections	28312	633
<I/σ(I)>	14.2	0.6
Completeness [%]	85.7
Redundancy	11
CC(1/2)	0.998	0.223

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M MgCl2, 0.1 M bis-Tris pH 5.5 and 25 % (w/v) PEG 3350