3TWB
Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 complexed with magnesium and gluconic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-09 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 144.727, 144.727, 446.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.760 |
R-factor | 0.17079 |
Rwork | 0.170 |
R-free | 0.20596 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tw9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.497 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.980 | |
Number of reflections | 232167 | |
<I/σ(I)> | 4.6 | 1.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.4 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 0.2M AMMONIUM ACETATE, 100MM TRIS-HCL PH 8.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |