3D46
Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and L-tartrate
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 | 2007-04-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 119.524, 147.717, 195.825 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.970 - 1.900 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3box |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 24.970 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.088 |
Number of reflections | 260703 |
Completeness [%] | 96.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 3350, 0.2 M Potassium/sodium tartrate tetrahydrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |