4HZX
Crystal structure of influenza A neuraminidase N3 complexed with oseltamivir
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 | 2010-12-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 |
Unit cell lengths | 106.224, 106.224, 66.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.645 - 2.200 |
R-factor | 0.1539 |
Rwork | 0.152 |
R-free | 0.19660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bat |
RMSD bond length | 0.004 |
RMSD bond angle | 0.894 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 17390 | |
Completeness [%] | 97.4 | 87.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
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 |