5NWE
Complex of H275Y mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir
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 | 2016-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.474, 126.608, 96.560 |
| Unit cell angles | 90.00, 93.49, 90.00 |
Refinement procedure
| Resolution | 48.190 - 2.000 |
| R-factor | 0.2359 |
| Rwork | 0.235 |
| R-free | 0.27721 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ti6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.190 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.139 | 0.621 |
| Number of reflections | 137306 | |
| <I/σ(I)> | 7.63 | 1.98 |
| Completeness [%] | 98.8 | 96.9 |
| Redundancy | 3.03 | 2.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | PEG 8000, HEPES |
