1VCJ
Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one
Replaces: 1UJAExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-10-06 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 124.360, 124.360, 71.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.400 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.25300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.689 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.084 * | 0.207 * |
| Number of reflections | 18434 | |
| <I/σ(I)> | 7.7 | 2.6 |
| Completeness [%] | 81.9 | 63.2 |
| Redundancy | 2.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | 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 | 3.0 (mg/ml) | |
| 2 | 1 | reservoir | PEG3350 | 18.5 (%(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 |
