7TOW

Antibody DH1058 Fab fragment bound to SARS-CoV-2 fusion peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	53.916, 76.788, 119.786
Unit cell angles	90.00, 100.85, 90.00

Refinement procedure

Resolution	39.210 - 2.150
R-factor	0.1696
Rwork	0.167
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ggu
RMSD bond length	0.007
RMSD bond angle	0.943
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.210	2.230
High resolution limit [Å]	2.150	2.150
Rpim		0.115
Number of reflections	48438	4817
<I/σ(I)>	22.5	5.4
Completeness [%]	92.9
Redundancy	5.59
CC(1/2)	0.993	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% PEG3000, 100mM Tris base/HCl pH 7.0, 200mM calcium acetate