6W7Y

Crystal structure of SARS-CoV and SARS-CoV-2 reactive human antibody CR3022

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	52.065, 201.032, 56.971
Unit cell angles	90.00, 109.44, 90.00

Refinement procedure

Resolution	53.720 - 3.300
R-factor	0.2528
Rwork	0.252
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xs7
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.720	3.420
High resolution limit [Å]	3.300	3.300
Rpim	0.063	0.198
Number of reflections	16019	2430
<I/σ(I)>	10.2	1.6
Completeness [%]	96.5
Redundancy	1.9
CC(1/2)	0.991	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M imidazole, pH 6.5, 40% 2-propanol, 15% PEG8000