4HCL
CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate
Replaces: 3TU2Experimental 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 | 2011-07-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 |
Unit cell lengths | 118.260, 118.260, 133.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.397 - 1.800 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rvk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.089 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 37.397 |
High resolution limit [Å] | 1.800 |
Number of reflections | 80784 |
Completeness [%] | 95.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 3.0 M SODIUM CHLORIDE, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |