2QWF
THE X-RAY STRUCTURE OF A COMPLEX OF N-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID 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 | 1995-07-28 |
| Detector | RIGAKU |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 181.410, 181.410, 181.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.900 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TERN N9 NEURAMINIDASE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.890 |
| 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 | 1.967 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 | |
| Total number of observations | 133428 * | |
| Number of reflections | 36084 | |
| Completeness [%] | 89.4 | 71.1 |
| Redundancy | 3.7 |
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) |
