7BEM

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 scFv

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	P 62 2 2
Unit cell lengths	173.614, 173.614, 120.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.050 - 2.520
R-factor	0.2184
Rwork	0.217
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bes
RMSD bond length	0.004
RMSD bond angle	0.642
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]	57.000	2.560
High resolution limit [Å]	2.520	2.520
Rmerge	0.432
Rpim	0.051
Number of reflections	36739	1714
<I/σ(I)>	9.2	0.2
Completeness [%]	99.9
Redundancy	73.4
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M Proline, 0.1 M HEPES pH 7.5 and 10% (w/v) PEG 3350