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 |
