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 |