3EJQ
Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-swainsonine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9186 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.987, 109.605, 138.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.250 - 1.450 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bub |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.345 |
| 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 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.083 | 0.369 |
| Number of reflections | 184195 | |
| <I/σ(I)> | 14.4 | 5.2 |
| Completeness [%] | 99.2 | 95.9 |
| Redundancy | 6.24 | 5.2 |
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 |
