7NX9

Crystal structure of the N501Y 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	54.302, 120.881, 210.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.310 - 2.400
R-factor	0.201
Rwork	0.200
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nx6
RMSD bond length	0.002
RMSD bond angle	0.513
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]	80.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.257
Rpim	0.051
Number of reflections	55190	2687
<I/σ(I)>	7.7	0.6
Completeness [%]	100.0
Redundancy	26.6
CC(1/2)	0.995	0.584

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.