4WEG

influenza virus neuraminidase N9 in complex 2,3-difluorosialic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-20
Detector	ADSC QUANTUM 210
Wavelength(s)	0.95369
Spacegroup name	I 4 3 2
Unit cell lengths	181.194, 181.194, 181.194
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 2.100
R-factor	0.14568
Rwork	0.143
R-free	0.20137
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.987
Data scaling software	HKL
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.710	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.308	0.980
Number of reflections	28106
<I/σ(I)>	10.2	1.3
Completeness [%]	99.2	99.5
Redundancy	73.5	34.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	1.7M potassium phosphate