1KET
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with thymidine diphosphate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.870 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.347, 98.994, 184.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.000 * - 1.800 |
| R-factor | 0.197 * |
| Rwork | 0.197 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g1a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 22.412 * |
| 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] | 52.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 * | 0.251 * |
| Total number of observations | 345981 * | |
| Number of reflections | 104163 | 14240 * |
| <I/σ(I)> | 6.9 | 2.9 |
| Completeness [%] | 97.7 | 92.7 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.4 | 293 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.6 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 2.5 (mM) | |
| 3 | 1 | drop | NAD+ | 4 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 5 | 1 | reservoir | citric acid | 0.1 (M) | pH5.4 |
| 6 | 1 | reservoir | ammonium sulfate | 0.2 (M) |
