2HU4

N1 neuraminidase in complex with oseltamivir 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	201.060, 201.240, 211.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.237
Rwork	0.237
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.500
Number of reflections	136759
<I/σ(I)>	11.2
Completeness [%]	93.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		MES, PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP