7K8M

Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	54.599, 89.250, 175.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.120 - 3.200
R-factor	0.1811
Rwork	0.175
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bz5
RMSD bond length	0.005
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.120	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.160	0.492
Rpim	0.068	0.232
Number of reflections	14722	1413
<I/σ(I)>	6
Completeness [%]	99.7
Redundancy	6.5
CC(1/2)	0.987	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M sodium citrate tribasic, 20% w/v PEG3350