4HZX

Crystal structure of influenza A neuraminidase N3 complexed with oseltamivir

Experimental procedure

実験手法	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	2010-12-20
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	I 4
格子定数 [Å]	106.224, 106.224, 66.448
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	38.645 - 2.200
R因子	0.1539
Rwork	0.152
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bat
結合長の平均二乗偏差(RMSD) [Å]	0.004
結合角の平均二乗偏差(RMSD) [度]	0.894
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.280
分解能 [Å] (高)	2.200	2.200
独立反射数	17390
完全性 [%]	97.4	87.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION	8	291	20mM Tris, pH 8.0, 50mM NaCl, 0.1M BIS-TRIS propane (pH 9.0), 10% v/v Jeffamine ED-2001 (pH 7.0) , VAPOR DIFFUSION, temperature 291K