4JUK

Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.2.1

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 3 2 1
Unit cell lengths	116.365, 116.365, 134.596
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.189 - 2.750
R-factor	0.2306
Rwork	0.229
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jum
RMSD bond length	0.014
RMSD bond angle	1.351
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	2.850
High resolution limit [Å]	2.750	5.920	2.750
Rmerge	0.150	0.089	0.531
Number of reflections	27769
<I/σ(I)>	10.1
Completeness [%]	99.5	99.3	96.6
Redundancy	6.4	6.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	22% PEG 4000, 0.2M LiSO4, 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	22% PEG 4000, 0.2M LiSO4, 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K