7UYI

Crystal structure of the computationally optimized broadly reactive H1 influenza hemagglutinin P1

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	2020-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03
Spacegroup name	C 1 2 1
Unit cell lengths	264.849, 77.560, 222.523
Unit cell angles	90.00, 93.77, 90.00

Refinement procedure

Resolution	47.750 - 3.000
R-factor	0.2281
Rwork	0.226
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.222	1.435
Number of reflections	90769	4343
<I/σ(I)>	6.6	1.7
Completeness [%]	99.8	97.7
Redundancy	6.2
CC(1/2)	0.988	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.25 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, 15% PEG4000, 6% PEG400