3EJS
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.343, 110.425, 139.857 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.540 - 1.350 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bub |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.507 |
| Data reduction software | HKL-2000 |
| Data scaling software | SADABS |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.101 | 0.332 |
| Number of reflections | 234434 | |
| <I/σ(I)> | 15.59 | 4.52 |
| Completeness [%] | 99.7 | 97.5 |
| Redundancy | 8.28 | 4.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG8000, Tris, pH 7, 2.5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
