7NX7

Crystal structure of the K417N 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	54.706, 122.364, 213.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.490 - 2.300
R-factor	0.2091
Rwork	0.207
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nx6
RMSD bond length	0.003
RMSD bond angle	0.577
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	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.245
Rpim	0.039
Number of reflections	65096	3175
<I/σ(I)>	7.7	0.4
Completeness [%]	100.0
Redundancy	39.6
CC(1/2)	0.997	0.664

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.