3DDF
GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) pyrrolidin-2-one
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 | 2006-05-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.923, 109.993, 138.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.200 |
| R-factor | 0.115 |
| Rwork | 0.115 |
| R-free | 0.15100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f18 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.250 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.049 | 0.280 |
| Number of reflections | 312558 | |
| <I/σ(I)> | 12.9 | 3.68 |
| Completeness [%] | 96.1 | 92.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 8000, Tris, pH 7, 2.5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
