7ORA

Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 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	2021-05-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	51.570, 182.385, 142.412
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	51.500 - 2.600
R-factor	0.206
Rwork	0.204
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bel
RMSD bond length	0.002
RMSD bond angle	0.530
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]	61.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.246
Number of reflections	72862	1945
<I/σ(I)>	7.3	0.6
Completeness [%]	90.5
Redundancy	6.7
CC(1/2)	0.986	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BICINE pH 8.5 and 20% (w/v) PEG 10,000