4B7M
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2011-12-03 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.579, 162.474, 118.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.780 - 2.500 |
| R-factor | 0.20685 |
| Rwork | 0.205 |
| R-free | 0.23707 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nss |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.437 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 0.610 |
| Number of reflections | 37388 | |
| <I/σ(I)> | 9.3 | 2.1 |
| Completeness [%] | 93.3 | 92 |
| Redundancy | 5.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG 1000, 0.6 M AMMONIUM PHOSPHATE AND 0.1 M SODIUM ACETATE (PH 4.6) |
