2QWD
THE X-RAY STRUCTURE OF A COMPLEX OF 4-AMINO-NEU5AC2EN AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M18X |
| Temperature [K] | 107 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-09 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 180.900, 180.900, 180.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.000 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TERN N9 R292K MUTANT NEURAMINIDASE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.870 |
| Data reduction software | PROTEIN (V4) |
| Data scaling software | PROTEIN (V. 4) |
| Phasing software | X-PLOR (3.0) |
| Refinement software | X-PLOR (3.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.860 |
| High resolution limit [Å] | 2.000 | 1.800 |
| Rmerge | 0.089 | |
| Total number of observations | 187582 * | |
| Number of reflections | 37126 | |
| Completeness [%] | 79.1 | 29 |
| Redundancy | 5.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.6 * | Laver, W.G., (1984) Virology, 137, 314. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | potassium phosphate | 1.7 (M) | |
| 2 | 1 | drop | protein | 10-15 (mg/ml) | |
| 3 | 1 | reservoir | potassium phosphate | 1.9 (M) |
