6HFY

Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	105.995, 75.763, 105.976
Unit cell angles	90.00, 90.50, 90.00

Refinement procedure

Resolution	20.050 - 1.650
R-factor	0.1571
Rwork	0.156
R-free	0.18463
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v0z
RMSD bond length	0.016
RMSD bond angle	1.768
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]	20.050	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	184006	8244
<I/σ(I)>	8.1	2.4
Completeness [%]	91.4	83.2
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	N6 crystals were grown by hanging-drop vapour diffusion against 1:1 20%(w/v) PEG-3350 and 2 microM CaCl2 in 150mM NaCl at 20 degrees celsius, starting with equal volumes of N6 (20mg/ml in saline) and 20% (w/v) PEG 3350 and 2 microM in 1% saline. Microseeding with crystals of native N6 was carried out using a super saturated solution of N6 NA in 20% PEG 3350. Inhibitor complex obtained by soaking N6 crystals in a solution of 20% PEG 3350 in 1% saline (mother liquor) containing 27mM DANA at pH7 for 3 hours at 18 degrees celsius.