3DX4
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
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 | 2007-04-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9770 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.769, 109.703, 138.306 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.500 - 1.380 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hty |
RMSD bond length | 0.014 |
RMSD bond angle | 1.593 |
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] | 40.000 | 1.400 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.078 | 0.410 |
Number of reflections | 212071 | |
<I/σ(I)> | 24.2 | 5.2 |
Completeness [%] | 99.6 | 82.8 |
Redundancy | 14.6 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG8000, Tris, 2.5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7 |