3EJU
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-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 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.372, 110.543, 139.985 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.070 - 1.320 |
R-factor | 0.155 |
Rwork | 0.155 |
R-free | 0.17100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3BUBA |
RMSD bond length | 0.012 |
RMSD bond angle | 1.344 |
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] | 30.070 | 1.350 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.077 | 0.230 |
Number of reflections | 237665 | |
<I/σ(I)> | 19.71 | 5.3 |
Completeness [%] | 94.4 | 69.4 |
Redundancy | 8.5 | 3.48 |
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 |