3BVV
Golgi mannosidase II D204A catalytic nucleophile mutant complex with METHYL ALPHA-D-MANNOPYRANOSYL-(1->3)-[6-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE
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 | 2005-07-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.972 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.104, 109.815, 139.303 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.610 - 1.300 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hty |
RMSD bond length | 0.012 |
RMSD bond angle | 1.461 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.080 | 0.260 |
Number of reflections | 254755 | |
<I/σ(I)> | 17.2 | 4.8 |
Completeness [%] | 97.8 | 78.4 |
Redundancy | 7.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | TRIS, NACL, PEG6000, MPD. Crystals washed in phosphate buffered reservoir solution before soaking with substrate for 24 hrs, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |