4HZZ
Crystal structure of influenza neuraminidase N3-H274Y complexed with oseltamivir
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 |
格子定数 [Å] | 108.113, 108.113, 62.226 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 34.188 - 1.601 |
R因子 | 0.139 |
Rwork | 0.138 |
R-free | 0.16470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bat |
結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
結合角の平均二乗偏差(RMSD) [度] | 1.191 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 1.660 |
分解能 [Å] (高) | 1.600 | 1.600 |
独立反射数 | 46695 | |
完全性 [%] | 99.6 | 100 |
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 |