1KBZ
Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 47.533, 71.901, 82.158 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 2.210 * |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.25600 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 1.520 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.230 | 2.270 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.072 | 0.249 |
| Total number of observations | 171243 * | |
| Number of reflections | 14547 | |
| <I/σ(I)> | 4.7 | 2.9 |
| Completeness [%] | 99.4 | 92 |
| Redundancy | 11.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 * | 298 | HEPES, PEG 4000, magnesium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 22 (%(w/v)) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.1 |
| 3 | 1 | reservoir | 0.2 (M) | ||
| 4 | 1 | reservoir | dithiothreitol | 4 (mM) | |
| 5 | 1 | reservoir | NADPH | 2.5 (mM) |
