7Z0Y

THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	126.157, 126.157, 167.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.950
R-factor	0.2198
Rwork	0.219
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	2.950	2.950
Rmerge	0.056	0.340
Rmeas	0.080	0.437
Rpim	0.056	0.309
Number of reflections	23099	691
<I/σ(I)>	17.4	3
Completeness [%]	78.0
Redundancy	2	2
CC(1/2)	0.991	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	1.5M ammonium sulfate, 12%(v/v) isopropanol, 0.1M imidazole HCl pH 6.5