1KC3
Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH and dTDP-L-rhamnose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-08-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 47.980, 72.261, 82.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.870 - 2.700 |
| R-factor | 0.196 |
| Rwork | 0.191 |
| R-free | 0.28900 * |
| Structure solution method | MAD |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.280 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.750 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.105 | 0.377 |
| Total number of observations | 28521 * | |
| Number of reflections | 7905 | |
| <I/σ(I)> | 3.8 | 1.8 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 * | 298 | HEPES, PEG-MME 5000, MgCl2, pH 6.8, 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) |
