4JUM

Crystal structure of H5N1 influenza virus hemagglutinin, clade 4

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 63
Unit cell lengths	70.636, 70.636, 243.734
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.869 - 1.997
R-factor	0.179
Rwork	0.172
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s11
RMSD bond length	0.006
RMSD bond angle	1.032
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	1.997	4.310	1.997
Rmerge	0.119	0.066	0.476
Number of reflections	43817
<I/σ(I)>	13.1
Completeness [%]	94.4	99.7	70.9
Redundancy	7.2	10.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	20% PEG 3350, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K