4KS1

Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	I 4
Unit cell lengths	90.253, 90.253, 94.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.076 - 2.200
R-factor	0.1552
Rwork	0.153
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ht5
RMSD bond length	0.008
RMSD bond angle	1.088
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.000
High resolution limit [Å]	2.200
Number of reflections	17922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	40% 2-Methyl-2,4-Pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298K