6HEB

Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.85
Spacegroup name	I 4 3 2
Unit cell lengths	180.691, 180.691, 180.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.970 - 1.750
R-factor	0.11981
Rwork	0.119
R-free	0.14171
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nn9
RMSD bond length	0.016
RMSD bond angle	1.794
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.970	1.840
High resolution limit [Å]	1.750	1.750
Rmeas	0.098	0.183
Number of reflections	48047
<I/σ(I)>	6.4	15.5
Completeness [%]	100.0
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	N9 crystals were grown by hanging drop vapour diffusion against a reservoir of 1.9M potassium phosphate, pH 6.8, starting with equal volumes of N9 NA(10-15mg/ml in water) and potassium phosphate buffer 1.4M KH2PO4:3M K2HPO4 in ratio 8:4, pH 6.6 at 20 degrees celsius. Inhibitor complexeswere obtained by soaking N9 crystals in a solution of 1.4M potassium phosphate buffer, pH 6.8, containing 5 mM of inhibitor for 3 hours at 18 degrees celsius. Glycerol cryo-buffer also soaked in.