6HEB
Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.85 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 180.691, 180.691, 180.691 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.970 - 1.750 |
R-factor | 0.11981 |
Rwork | 0.119 |
R-free | 0.14171 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7nn9 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.794 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.970 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.098 | 0.183 |
Number of reflections | 48047 | |
<I/σ(I)> | 6.4 | 15.5 |
Completeness [%] | 100.0 | |
Redundancy | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | N9 crystals were grown by hanging drop vapour diffusion against a reservoir of 1.9M potassium phosphate, pH 6.8, starting with equal volumes of N9 NA(10-15mg/ml in water) and potassium phosphate buffer 1.4M KH2PO4:3M K2HPO4 in ratio 8:4, pH 6.6 at 20 degrees celsius. Inhibitor complexeswere obtained by soaking N9 crystals in a solution of 1.4M potassium phosphate buffer, pH 6.8, containing 5 mM of inhibitor for 3 hours at 18 degrees celsius. Glycerol cryo-buffer also soaked in. |