7U09

Crystal Structure of C13B8 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	2021-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.988
Spacegroup name	P 21 21 21
Unit cell lengths	43.269, 69.323, 150.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.590 - 2.100
R-factor	0.1924
Rwork	0.190
R-free	0.23870
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]	41.590	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.131
Number of reflections	26947	2095
<I/σ(I)>	7.7
Completeness [%]	93.6
Redundancy	4
CC(1/2)		0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.17 M Ammonium Acetate, 0.085 M Sodium Acetate: HCl, pH 4.6, 25.5 % (w/v) PEG 4000, 15 % (v/v) glycerol