6NHQ

Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin HA2 I45M mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	208.856, 131.006, 72.576
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.19179
Rwork	0.190
R-free	0.21888
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnk
RMSD bond length	0.010
RMSD bond angle	1.522
Data scaling software	HKL-2000 (712)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.050	0.390
Number of reflections	65790	7333
<I/σ(I)>	15.4	1.5
Completeness [%]	97.6	98.4
Redundancy	5.9	5.9
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M sodium cacodylate pH 6.5, 5% PEG 8000, and 38% 2-methyl-2,4-pentanediol