7Z0X

THSC20.HVTR26 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	2022-02-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	90.286, 104.213, 89.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1638
Rwork	0.163
R-free	0.18750
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	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.019	0.309
Rmeas	0.028	0.437
Rpim	0.019	0.309
Number of reflections	72244	72238
<I/σ(I)>	20.3	2
Completeness [%]	92.0	50
Redundancy	2	2
CC(1/2)	1.000	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293.15	15% (w/v) PEG 20,000, 100 mM HEPES / Sodium hydroxide pH 7.0