7SKZ

Crystal Structure of VN01H1 Fab in complex with SARS-CoV-2 S fusion peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9774
Spacegroup name	C 1 2 1
Unit cell lengths	152.923, 60.713, 61.110
Unit cell angles	90.00, 93.62, 90.00

Refinement procedure

Resolution	46.240 - 1.860
R-factor	0.2008
Rwork	0.199
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r6w
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.240	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.077	1.600
Number of reflections	46943	9477
<I/σ(I)>	6.5
Completeness [%]	99.7
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.2M potassium acetate, 20% (w/v) PEG 3350, 0.2 M potassium chloride, 0.05 M HEPES-NaOH pH 7.5, 35% (v/v) pentaerythritol propoxylate 5/4/PO/OH