8CWK

Fab arm of antibodies 4G1-C2 and 10G4 bound to CoV-2 receptor binding domain (RBD)

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	2021-10-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	C 1 2 1
Unit cell lengths	133.155, 99.343, 124.957
Unit cell angles	90.00, 108.63, 90.00

Refinement procedure

Resolution	43.235 - 2.368
R-factor	0.1882
Rwork	0.186
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	generic Fab and RBD
RMSD bond length	0.005
RMSD bond angle	0.813
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
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]	45.800	45.800	2.430
High resolution limit [Å]	2.368	10.590	2.370
Rmerge	0.092	0.052	1.029
Rmeas	0.101	0.058	1.127
Rpim	0.041	0.023	0.455
Total number of observations		4214	25430
Number of reflections	62334	732	4393
<I/σ(I)>	10.9	29.1	1.5
Completeness [%]	99.3	98.5	95.3
Redundancy	5.9	5.8	5.8
CC(1/2)	0.997	0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Equal volume (2 uL) of protein solution (approx 5 mg/mL, in 25 mM Tris (pH 8.0), 200 mM NaCl) was mixed with an equal volume of well solution comprising 200 mM sodium citrate, 100 mM Bis-Tris-Propane (pH 7.4), 18% PEG3350). For cryoprotection the crystal was swum briefly (5-10 sec) in well solution doped with glycerol to a final concentration of ~25%.