2F0Z
Crystal Structure of the Human Sialidase Neu2 in Complex with Zanamivir inhibitor
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 | 2004-03-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9780 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.510, 85.680, 92.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.840 - 2.800 |
| Rwork | 0.192 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1snt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.373 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.860 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.115 | 0.422 |
| Number of reflections | 8465 | |
| <I/σ(I)> | 8.6 | 4.6 |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 283 | sodium/potassium phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
