6CEX

Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with small molecule N-Cyclohexyltaurine

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]	80
Detector technology	PIXEL
Collection date	2015-03-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9796
Spacegroup name	C 2 2 21
Unit cell lengths	104.846, 151.672, 346.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.743 - 2.570
R-factor	0.172
Rwork	0.170
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnk
RMSD bond length	0.004
RMSD bond angle	0.735
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.570	2.570
Rpim	0.040	0.120
Number of reflections	87259	3773
<I/σ(I)>	21.4	5.4
Completeness [%]	98.3	86.8
Redundancy	5.5	4
CC(1/2)	0.970	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2.0 M ammonium sulfate, 100 mM sodium cacodylate, 200 mM sodium chloride, pH 6.5, 20 degree