4B7Q
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 |
Synchrotron site | Diamond |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2010-05-10 |
Detector | ADSC QUANTUM |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.650, 148.820, 166.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.494 - 2.728 |
R-factor | 0.1783 |
Rwork | 0.174 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.205 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.650 | 2.800 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.200 | 0.540 |
Number of reflections | 55091 | |
<I/σ(I)> | 6.1 | 2.5 |
Completeness [%] | 99.2 | 99 |
Redundancy | 6.8 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 15% PEG3350, 0.1M BIS-TRIS PROPANE AND 0.1M SODIUM ACETATE BUFFER (PH 4.6) |