4XKF

Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with LSTa

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]	100
Detector technology	PIXEL
Collection date	2014-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	185.735, 99.271, 133.437
Unit cell angles	90.00, 126.45, 90.00

Refinement procedure

Resolution	49.636 - 2.446
R-factor	0.2129
Rwork	0.211
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xkd
RMSD bond length	0.011
RMSD bond angle	1.567
Data reduction software	HKL-2000 (705b)
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.446	6.650	2.446
Rmerge	0.103	0.055	0.448
Rmeas	0.121	0.065	0.539
Rpim	0.063	0.032	0.294
Total number of observations	249206
Number of reflections	71296
<I/σ(I)>	6.7
Completeness [%]	99.1	99.8	93
Redundancy	3.5	3.6	2.9
CC(1/2)		0.995	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	10mM NiCl2, 0.1M Tris pH 8.5, 20% (w/v) MPEG 2000 and 20% glycerol