9SSM

Crystal structure of 084-7D Fab bound to SARS-CoV-2 Beta RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-06-29
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	81.450, 84.368, 126.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.2249
Rwork	0.223
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.748
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.797
High resolution limit [Å]	2.700	2.700
Rmerge	0.397	2.575
Rmeas	0.405
Rpim	0.077	0.507
Number of reflections	24546	2401
<I/σ(I)>	8.47
Completeness [%]	99.6	99
Redundancy	27.3	26.4
CC(1/2)	0.995	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	8.25% PEG 3350 4.95% MPD 0.2 M Lithium sulfate 0.1 M imidazole/hydrochloric acid pH 6.5 20% Ethylene glycol added after crystallization