6HP0
Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative
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 | 2015-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.842, 126.861, 96.906 |
| Unit cell angles | 90.00, 93.93, 90.00 |
Refinement procedure
| Resolution | 48.340 - 1.880 |
| R-factor | 0.18536 |
| Rwork | 0.185 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g02 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.889 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.430 | 2.000 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmeas | 0.096 | 0.558 |
| Number of reflections | 162570 | 26059 |
| <I/σ(I)> | 9.24 | 1.96 |
| Completeness [%] | 97.6 | 97 |
| Redundancy | 2.1 | 2.3 |
| CC(1/2) | 0.996 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M HEPES pH 7.5, 5% PEG 8000 |
