4JUN

Crystal structure of H5N1 influenza virus hemagglutinin, clade 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	73.036, 237.056, 72.857
Unit cell angles	90.00, 119.18, 90.00

Refinement procedure

Resolution	49.623 - 2.340
R-factor	0.2033
Rwork	0.201
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jum
RMSD bond length	0.010
RMSD bond angle	1.244
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.340	5.060	2.340
Rmerge	0.089	0.040	0.302
Number of reflections	78383
<I/σ(I)>	11.6
Completeness [%]	87.4	96.2	55
Redundancy	2.7	3.2	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	21% PEG 1500, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K