4NCS
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 | 88.144, 88.256, 92.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.200 - 2.201 |
| R-factor | 0.16385 |
| Rwork | 0.161 |
| R-free | 0.22451 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vcu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.918 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.200 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 9808 | |
| Completeness [%] | 99.8 | 99.56 |
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 |
