7NX8

Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A 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	2021-02-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	54.843, 122.727, 213.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.620 - 1.950
R-factor	0.2243
Rwork	0.223
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nx6
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.120
Rpim	0.034
Number of reflections	106251	5188
<I/σ(I)>	12	0.4
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.996	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.15 M Lithium sulfate, 0.1 M Citric acid pH 3.5, 18% w/v PEG 6,000.