1WVG
Structure of CDP-D-glucose 4,6-dehydratase from Salmonella typhi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2004-03-29 |
| Detector | SBC |
| Wavelength(s) | 0.96411 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 93.900, 93.900, 152.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model from MAD experiment performed on Se-Met substituted CDP-D-glucose 4 6-dehydratase from Salmonella typhi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.250 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 68364 | |
| <I/σ(I)> | 37.1 | 3.1 |
| Completeness [%] | 94.3 | 85.7 |
| Redundancy | 5.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch method | 4.2 | 298 | sodium/potassium phosphate, homopipes, pH 4.2, batch method, temperature 298K |
