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 |