3W09
Influenza virus neuraminidase subtype N9 (TERN) complexed with 2,3-dif guanidino-neu5ac2en inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95369 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 180.836, 180.836, 180.836 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.660 - 2.000 |
R-factor | 0.14589 |
Rwork | 0.144 |
R-free | 0.18906 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7nn9 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.092 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.660 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.166 |
Number of reflections | 32402 |
Completeness [%] | 99.5 |
Redundancy | 70 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 298 | 1.9M ammonium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |