4HZW

Crystal structure of influenza A neuraminidase N3 complexed with laninamivir

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	2011-04-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9795
Spacegroup name	I 4
Unit cell lengths	105.977, 105.977, 66.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.513 - 1.701
R-factor	0.1378
Rwork	0.137
R-free	0.15860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bat
RMSD bond length	0.007
RMSD bond angle	1.140
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	39081
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	20mM Tris, pH 8.0, 50mM NaCl, 0.1M BIS-TRIS propane (pH 9.0), 10% v/v Jeffamine ED-2001 (pH 7.0), VAPOR DIFFUSION, temperature 291K