7K8O

Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C002

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	2020-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	92.271, 92.271, 130.863
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.100 - 1.950
R-factor	0.2049
Rwork	0.204
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bz5
RMSD bond length	0.005
RMSD bond angle	0.713
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.100	1.990
High resolution limit [Å]	1.920	1.920
Rmerge	0.072	1.480
Rpim	0.024	0.334
Number of reflections	90103	413
<I/σ(I)>	13
Completeness [%]	99.2	99.7
Redundancy	9.9
CC(1/2)	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M lithium sulfate monohydrate, 20% w/v PEG3350