2QWI
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 WILDTYPE TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 291 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1994-04-08 |
| Detector | WEISSENBERG |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 182.800, 182.800, 182.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.000 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TERN N9 NEURAMINIDASE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.960 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | |
| Total number of observations | 111968 * | |
| Number of reflections | 28605 | |
| Completeness [%] | 76.8 | 46.5 |
| Redundancy | 3.9 |
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) |
