4K1H

Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	114.825, 139.465, 140.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.451 - 1.797
R-factor	0.1613
Rwork	0.160
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.199
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.797	1.800
Number of reflections	99828
Completeness [%]	96.0	96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.1M BIS-TRIS propane pH 9.0, 10% v/v Jeffamine ED-2001 pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K