4CPY
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 160.094, 160.094, 89.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.260 - 1.800 |
| R-factor | 0.17233 |
| Rwork | 0.172 |
| R-free | 0.17858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cpo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.346 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.260 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.520 |
| Number of reflections | 121778 | |
| <I/σ(I)> | 11.6 | 2.2 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG 1500, 0.1M SUCCINIC ACID PH 9.0 |
