4WEG
influenza virus neuraminidase N9 in complex 2,3-difluorosialic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-20 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95369 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 181.194, 181.194, 181.194 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.710 - 2.100 |
R-factor | 0.14568 |
Rwork | 0.143 |
R-free | 0.20137 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.987 |
Data scaling software | HKL |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.710 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.308 | 0.980 |
Number of reflections | 28106 | |
<I/σ(I)> | 10.2 | 1.3 |
Completeness [%] | 99.2 | 99.5 |
Redundancy | 73.5 | 34.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 1.7M potassium phosphate |