5NZF
Complex of H275Y/I223V 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 | 2016-03-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.654, 127.217, 96.786 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 45.180 - 1.750 |
| R-factor | 0.2147 |
| Rwork | 0.214 |
| R-free | 0.25520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nwe |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.786 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.180 | 1.850 |
| High resolution limit [Å] | 1.745 | 1.750 |
| Rmerge | 0.096 | 0.561 |
| Rmeas | 0.114 | 0.673 |
| Number of reflections | 207846 | 32725 |
| <I/σ(I)> | 8.97 | 1.91 |
| Completeness [%] | 99.2 | 96.9 |
| Redundancy | 3.36 | 3.23 |
| CC(1/2) | 0.996 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M HEPES pH 7.0, 7% PEG 8000 |
