9B7I

Crystal structure of the H3 hemagglutinin COBRA J4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03
Spacegroup name	P 1
Unit cell lengths	83.744, 105.304, 109.682
Unit cell angles	71.61, 73.38, 87.07

Refinement procedure

Resolution	49.920 - 2.900
R-factor	0.2306
Rwork	0.228
R-free	0.28510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.568
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.920	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.127	0.383
Rmeas	0.149	0.449
Rpim	0.077	0.232
Number of reflections	69687	3369
<I/σ(I)>	7.5	1
Completeness [%]	92.4	89
Redundancy	3.7	3.6
CC(1/2)	0.987	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.3 M KNO3, 14% PEG 3350