9E55

Crystal structure of the A/Viet Nam/1203/2004(H5N1) influenza virus hemagglutinin in complex with cyclic peptide iHA-100

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	2022-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	100.729, 100.729, 328.684
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.240 - 2.890
R-factor	0.2762
Rwork	0.274
R-free	0.31200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.599
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.240	2.990
High resolution limit [Å]	2.890	2.890
Number of reflections	14773	717
<I/σ(I)>	7.2
Completeness [%]	99.4
Redundancy	7.6
CC(1/2)	0.970	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris 8.5, 0.2 M lithium sulfate, and 40 %(v/v) polyethylene glycol 400