7K8R

Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C135

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 41
Unit cell lengths	102.258, 102.258, 53.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.280 - 2.000
R-factor	0.1972
Rwork	0.195
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bz5
RMSD bond length	0.013
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.280	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	2.130
Rpim	0.035	0.889
Number of reflections	72349	3071
<I/σ(I)>	6.8
Completeness [%]	99.4
Redundancy	6.8
CC(1/2)	0.998	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.04 M potassium phosphate, 16% w/v PEG8000, 20% v/v glycerol