5NZE
Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-30 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.670, 136.590, 119.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.600 - 1.690 |
| R-factor | 0.1876 |
| Rwork | 0.187 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ti6 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.802 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.089 | 0.712 |
| Rmeas | 0.094 | 0.700 |
| Number of reflections | 101435 | 6625 |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 93.9 | 83.2 |
| Redundancy | 4.8 | 3.61 |
| CC(1/2) | 0.996 | 0.821 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M HEPES pH 6.7, 8.5% PEG 8000 |
