3BVX
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-(alpha-D-mannopyranosyl)- (1->3)-[(alpha-D-mannopyranosyl)-(1->6)-(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 | 2007-04-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.805, 109.547, 138.522 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.100 |
R-factor | 0.153 |
Rwork | 0.153 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hty |
RMSD bond length | 0.015 |
RMSD bond angle | 0.033 |
Data reduction software | HKL-2000 |
Data scaling software | SADABS |
Phasing software | CNS |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.130 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.090 | 0.500 |
Number of reflections | 311018 | |
<I/σ(I)> | 13.4 | 2.1 |
Completeness [%] | 98.3 | 94.3 |
Redundancy | 11 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | TRIS, NACL, PEG6000, MPD. Crystals washed in MOPS buffered reservoir solution before soaking with substrate for 24 hrs., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |