6EKU
Vibrio cholerae neuraminidase complexed with zanamivir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 190.553, 50.344, 86.087 |
| Unit cell angles | 90.00, 107.24, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.750 |
| R-factor | 0.1687 |
| Rwork | 0.167 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kit |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.044 | 0.478 |
| Number of reflections | 77459 | 7630 |
| <I/σ(I)> | 14.66 | 1.78 |
| Completeness [%] | 97.8 | 96.8 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 3350, 0.2 M sodium fluoride |
