3P93
Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.242, 167.263, 168.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.816 - 1.800 |
R-factor | 0.2009 |
Rwork | 0.199 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ow1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.106 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 41.816 |
High resolution limit [Å] | 1.800 |
Number of reflections | 286929 |
Completeness [%] | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.3 M magnesium formate, 0.1M bis-tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |