7U0A

Crystal Structure of C77G12 Fab in complex with SARS-CoV-2 S fusion peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.988
Spacegroup name	P 1 21 1
Unit cell lengths	45.227, 64.056, 78.813
Unit cell angles	90.00, 93.33, 90.00

Refinement procedure

Resolution	45.150 - 1.700
R-factor	0.1557
Rwork	0.154
R-free	0.18690
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]	49.670	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.039
Number of reflections	49412	2622
<I/σ(I)>	16.4
Completeness [%]	99.8
Redundancy	3.7
CC(1/2)		0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2 M Calcium Chloride 20 % (w/v) PEG 3350