7K8N

Crystal structure of an anti-SARS-CoV-2 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 65 2 2
Unit cell lengths	88.813, 88.813, 218.858
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.040 - 1.650
R-factor	0.1968
Rwork	0.197
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bz5
RMSD bond length	0.015
RMSD bond angle	1.443
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.040	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.096	1.480
Rpim	0.023	0.334
Number of reflections	116041	6095
<I/σ(I)>	15.3
Completeness [%]	99.9
Redundancy	19.2
CC(1/2)	0.998	0.807

Crystallization Conditions

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