8DXU

Fab arms of antibodies GAR03 and 10G4 bound to the receptor binding domain of SARS-CoV-2 in a 1:1:1 complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	55.235, 102.085, 201.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.547 - 2.728
R-factor	0.2251
Rwork	0.223
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	generic fab and SARS-CoV-2 RBD
RMSD bond length	0.003
RMSD bond angle	0.706
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.480	49.480	2.860
High resolution limit [Å]	2.728	9.050	2.730
Rmerge	0.156	0.049	1.384
Rmeas	0.163	0.052	1.459
Rpim	0.047	0.015	0.455
Total number of observations		11627	39714
Number of reflections	31192	979	3918
<I/σ(I)>	12.8	42.6	1.7
Completeness [%]	99.4	99.6	95.8
Redundancy	11.9	11.9	10.1
CC(1/2)	0.998	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Two uL of protein solution (~5 mg/mL of 1:1:1 complex in 25 mM Tris (pH 8.0), 200 mM NaCl) was combined with an equal volume of well solution (100 mM MMT buffer system (Molecular Dimensions) (pH 6.0), 19% (w/v) PEG6000.