1L7F

Crystal structure of influenza virus neuraminidase in complex with BCX-1812

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	113
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 4 3 2
Unit cell lengths	181.122, 181.122, 181.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.800
R-factor	0.153 *
Rwork	0.153
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.150	0.580
Total number of observations	453337 *
Number of reflections	46825
<I/σ(I)>	28.5	3.2
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6 *	293	Laver, W.G., (1984) Virology, 137, 314. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	1.7 (M)
2	1	drop	protein	10-15 (mg/ml)
3	1	reservoir	potassium phosphate	1.9 (M)