6PD6

Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	109.568, 109.568, 421.393
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.580 - 2.870
R-factor	0.2156
Rwork	0.212
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fk0
RMSD bond length	0.005
RMSD bond angle	1.398
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.950
High resolution limit [Å]	2.790	2.790
Rmeas	0.166	1.397
Number of reflections	24399	3544
<I/σ(I)>	14.79	1.54
Completeness [%]	98.2	90.1
Redundancy	6.6	6.18
CC(1/2)	0.997	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM cacodylate, pH 7.0, 200 mM sodium chloride, 2 M ammonium sulfate, 10% glycerol