4B7N
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 I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2011-01-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 118.350, 118.350, 68.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.620 - 2.840 |
R-factor | 0.18706 |
Rwork | 0.185 |
R-free | 0.22401 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nss |
RMSD bond length | 0.006 |
RMSD bond angle | 1.037 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.700 | 3.000 |
High resolution limit [Å] | 2.840 | 2.840 |
Rmerge | 0.160 | 0.480 |
Number of reflections | 11923 | |
<I/σ(I)> | 15.4 | 6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.3 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18% PEG3350, 0.2M SODIUM FLUORIDE AND 0.1M BIS-TRIS PROPANE BUFFER (PH 6.5) |