3TIA

Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir

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	2010-12-08
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	89.928, 140.305, 89.893
Unit cell angles	90.00, 101.54, 90.00

Refinement procedure

Resolution	42.991 - 1.800
R-factor	0.1525
Rwork	0.152
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ivg
RMSD bond length	0.006
RMSD bond angle	1.127
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	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	201452
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.1M BIS-TRIS propane(pH 9.0), 10% v/v Jeffamine ED-2001 (pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K