3SAN

Crystal structure of influenza A virus neuraminidase N5 complexed with Zanamivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 4
Unit cell lengths	112.110, 112.110, 66.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.452 - 1.600
R-factor	0.1223
Rwork	0.120
R-free	0.15720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nss
RMSD bond length	0.005
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	109012
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M HEPES (pH 7.5), 12% w/v Polyethylene glycol 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 291K