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 |