1B9S
NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-08 |
| Detector | SIEMENS |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 124.251, 124.251, 71.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.174 * |
| Rwork | 0.174 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ivb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.345 |
| 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 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.124 * | 0.004 * |
| Number of reflections | 17239 | |
| <I/σ(I)> | 2.06 | 2.06 |
| Completeness [%] | 86.4 | 69.5 * |
| Redundancy | 1.72 | 1.72 |
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 |
