1B9V
NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-08 |
| Detector | SIEMENS |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 124.702, 124.702, 71.573 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.350 |
| R-factor | 0.183 * |
| Rwork | 0.183 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ivb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.389 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.85) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.448 |
| High resolution limit [Å] | 2.364 | 2.236 |
| Rmerge | 0.082 * | 0.002 * |
| Number of reflections | 19008 * | |
| <I/σ(I)> | 9.98 | 3.17 |
| Completeness [%] | 80.2 | 73.5 * |
| Redundancy | 2.32 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.8 | Sudbeck, E.A., (1997) J. Mol. Biol., 267, 584. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG3350 | 15 (%(w/v)) | |
| 3 | 1 | reservoir | 0.15 (M) | ||
| 4 | 1 | reservoir | 2 (M) | ||
| 5 | 1 | reservoir | 5 (mM) | ||
| 6 | 1 | reservoir | sodium azide | 0.1 (%(w/v)) | pH6.8 |
