4WA3

The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	90.816, 90.816, 110.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.195 - 1.801
R-factor	0.1635
Rwork	0.163
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ht5
RMSD bond length	0.006
RMSD bond angle	1.124
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	39209
<I/σ(I)>	20.5
Completeness [%]	94.9
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	293	0.01 M nickel chloride, 0.1 M Tris-HCl, pH 8.5, 20% PEG2000 MME