4NC5
Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 87.408, 87.916, 92.394 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.200 - 2.513 |
| R-factor | 0.1784 |
| Rwork | 0.174 |
| R-free | 0.26311 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vcu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.722 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.32) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 2.578 |
| High resolution limit [Å] | 2.513 | 2.513 |
| Number of reflections | 11706 | |
| Completeness [%] | 98.8 | 91.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | SODIUM/POTASSIUM PHOSPHATE BUFFER, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
