7RKU

Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C022

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	2020-09-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	178.385, 178.385, 247.318
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.600 - 3.200
R-factor	0.1898
Rwork	0.188
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k8m
RMSD bond length	0.011
RMSD bond angle	1.282
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]	44.600	3.320
High resolution limit [Å]	3.200	3.200
Number of reflections	73262	7338
<I/σ(I)>	12.87
Completeness [%]	99.5	96.9
Redundancy	10.3
CC(1/2)	0.998	0.277

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.05M ammonium sulfate, 0.05M BIS-Tris, 30% v/v pentaerythritol ethoxylate (15/4 EO/OH)