7K8P

Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C110

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)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	48.498, 62.738, 78.423
Unit cell angles	90.00, 97.51, 90.00

Refinement procedure

Resolution	38.690 - 1.800
R-factor	0.1981
Rwork	0.196
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xca
RMSD bond length	0.010
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.900	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.087	1.070
Rpim	0.041	0.820
Number of reflections	42891	4284
<I/σ(I)>	7.7	2
Completeness [%]	98.8	78.2
Redundancy	4.7	2
CC(1/2)	0.992	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	298	0.2 M sodium tartrate dibasic dihydrate, 20 % w/v PEG3350