7U0E

Crystal Structure of C13C9 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
Unit cell lengths	63.898, 65.682, 71.001
Unit cell angles	96.50, 108.06, 110.52

Refinement procedure

Resolution	44.090 - 2.100
R-factor	0.1804
Rwork	0.179
R-free	0.20320
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]	44.090	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.061
Number of reflections	56695	4636
<I/σ(I)>	8.7
Completeness [%]	97.5
Redundancy	2
CC(1/2)		0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.04 M KH2PO4, 16 % (w/v) PEG 8000, 20 % (v/v) Glycerol (C13C9 complex)