9ECX

Crystal structure of the SARS-CoV-2 NTD-targeted neutralizing antibody WRAIR-2008

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 1 21 1
Unit cell lengths	87.040, 60.400, 92.770
Unit cell angles	90.00, 99.20, 90.00

Refinement procedure

Resolution	34.170 - 2.670
R-factor	0.2259
Rwork	0.223
R-free	0.28880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.175	2.692
High resolution limit [Å]	2.647	2.647
Number of reflections	27956	1333
<I/σ(I)>	4.4
Completeness [%]	99.7
Redundancy	3.9
CC(1/2)	0.978	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.17 M ammonium sulfate, 25.5% w/v PEG 4000, 15% v/v glycerol