3EJT
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5R)-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 | 69.372, 110.384, 139.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.550 - 1.350 |
| R-factor | 0.158 |
| Rwork | 0.158 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bub |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.358 |
| 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 | 0.082 | 0.258 |
| Number of reflections | 233665 | |
| <I/σ(I)> | 14.71 | 5.18 |
| Completeness [%] | 99.4 | 97.3 |
| Redundancy | 5.96 | 4.38 |
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 |
