4H52
Wild-type influenza N2 neuraminidase covalent complex with 3-fluoro-Neu5Ac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-02-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 114.698, 139.704, 140.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.817 - 1.803 |
| R-factor | 0.1525 |
| Rwork | 0.151 |
| R-free | 0.17490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tia |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.199 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 103214 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 291 | 0.1M BIS-TRIS PROPANE (pH 9.0), 0.1% JEFFAMINE ED-2001 (pH 7.0), VAPOR DIFFUSION, temperature 291K |
