4CPM
Structure of the Neuraminidase from the B/Brisbane/60/2008 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 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 159.501, 159.501, 90.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.204 - 2.750 |
| R-factor | 0.1619 |
| Rwork | 0.159 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cpl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.249 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.200 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.100 | 0.640 |
| Number of reflections | 32059 | |
| <I/σ(I)> | 6.7 | 1.7 |
| Completeness [%] | 93.3 | 96.5 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG 1500, 0.1M SUCCINIC ACID PH 9.0. |
