5VTR

Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225L/L226S mutant in complex with 6'-SLN

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	2016-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0331
Spacegroup name	C 1 2 1
Unit cell lengths	210.047, 131.062, 72.303
Unit cell angles	90.00, 98.63, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.18881
Rwork	0.188
R-free	0.21324
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnk
RMSD bond length	0.009
RMSD bond angle	1.439
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	2.580
High resolution limit [Å]	2.500	2.500
Rpim	0.050	0.290
Number of reflections	66773	6042
<I/σ(I)>	12.9	1.5
Completeness [%]	100.0	99.6
Redundancy	6.2	4.8
CC(1/2)	1.000	0.710

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