7RKS

Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	92.923, 89.993, 93.865
Unit cell angles	90.00, 113.33, 90.00

Refinement procedure

Resolution	46.610 - 2.700
R-factor	0.1972
Rwork	0.195
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k8m
RMSD bond length	0.009
RMSD bond angle	1.166
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.610	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.062	0.401
Rpim	0.040	0.280
Number of reflections	72486	3085
<I/σ(I)>	13.14	2.27
Completeness [%]	95.7	79.5
Redundancy	3.4
CC(1/2)	0.998	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M sodium fluoride, 20% PEG 3,350