7LY3

Crystal structure of SARS-CoV-2 S NTD bound to S2M28 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	66.444, 125.457, 365.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.420 - 3.000
R-factor	0.2088
Rwork	0.208
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 7LY2
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.420	3.100
High resolution limit [Å]	3.000	3.000
Rpim	0.050	0.600
Number of reflections	62479	6095
<I/σ(I)>	12.6	1.39
Completeness [%]	100.0
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.75	293	10 mM HEPES-HCl pH 8.0 750 mM NaCl 0.1 M Ammonium Sulfate 0.05 M Sodium Citrate pH 4.75 12.5 % PEG4000