5W2Y
INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.953733 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 181.383, 181.383, 181.383 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.480 - 2.390 |
| R-factor | 0.143 |
| Rwork | 0.141 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4weg |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.937 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.480 | 2.450 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.394 | 0.762 |
| Number of reflections | 19147 | |
| <I/σ(I)> | 11.4 | 1.8 |
| Completeness [%] | 98.5 | 100 |
| Redundancy | 35.4 | 16.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 1.7M POTASSIUM PHOSPHATE |
