1VCU
Structure of the human cytosolic sialidase Neu2 in complex with the inhibitor DANA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-27 |
| Detector | ADSC QUAMTUM 4r |
| Wavelength(s) | 0.9700 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.650, 74.000, 77.190 |
| Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.850 |
| R-factor | 0.199 |
| Rwork | 0.195 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1snt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.396 |
| 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] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.115 | 0.313 |
| Number of reflections | 20807 | |
| <I/σ(I)> | 11.5 | 2 |
| Completeness [%] | 99.7 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 2-deoxy-2,3-dehydro-N-acetyl neuraminic acid, 2-methyl-2,4-pentanediol, guanidine hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
