4K1I

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	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97885
Spacegroup name	C 2 2 21
Unit cell lengths	115.429, 139.113, 139.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.14596
Rwork	0.145
R-free	0.16508
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.249
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	102694
Completeness [%]	100.0	100

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