2HT7

N8 neuraminidase in open complex with oseltamivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-02
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.54
Spacegroup name	I 4
Unit cell lengths	90.580, 90.580, 110.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.229
Rwork	0.229
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	1.530
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	13732
<I/σ(I)>	12.6
Completeness [%]	99.9	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Imidazole, MPD, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K