1KEW
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 61 |
| Unit cell lengths | 169.897, 169.897, 92.834 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.300 * - 1.800 |
| R-factor | 0.205 * |
| Rwork | 0.205 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g1a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.201 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.053 * | 0.185 * |
| Total number of observations | 549500 * | |
| Number of reflections | 140877 | 20513 * |
| <I/σ(I)> | 8.7 | 4.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 * | 293 | 0.1M MES pH 6.32, 1.5M lithium sulphate, VAPOR DIFFUSION, HANGING DROP at 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 2.5 (mM) | |
| 3 | 1 | drop | NAD+ | 4 (mM) | |
| 4 | 1 | drop | dTDP | 10 (mM) | |
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.3 |
| 6 | 1 | reservoir | lithium sulfate | 1.5 (M) |
