3TW9
Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109
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 | 2011-07-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 177.526, 177.526, 110.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.21232 |
| Rwork | 0.211 |
| R-free | 0.25206 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dfh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.448 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.960 | |
| Number of reflections | 209416 | |
| <I/σ(I)> | 5.2 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 0.2M SODIUM CHLORIDE, 100MM SODIUM ACETATE, PH 4.6, 30% MPD, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
