9B7H

Crystal structure of the H3 hemagglutinin COBRA TJ2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03
Spacegroup name	I 1 2 1
Unit cell lengths	77.252, 117.678, 198.617
Unit cell angles	90.00, 90.95, 90.00

Refinement procedure

Resolution	45.660 - 3.150
R-factor	0.2241
Rwork	0.222
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.516
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.660	3.320
High resolution limit [Å]	3.150	3.150
Rmerge	0.155	1.424
Rmeas	0.181	1.651
Rpim	0.092	0.828
Total number of observations	115794	17421
Number of reflections	30774	4475
<I/σ(I)>	6	0.9
Completeness [%]	99.7
Redundancy	3.8	3.9
CC(1/2)	0.994	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M Tris pH 8.5, 21% PEG 3350