1KC1
Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH
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 | 2001-03-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 47.723, 72.471, 82.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 2.600 |
| R-factor | 0.173 |
| Rwork | 0.169 |
| R-free | 0.25100 |
| Structure solution method | MAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.090 * |
| 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] | 39.840 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.066 | 0.475 |
| Total number of observations | 38031 * | |
| Number of reflections | 8506 | |
| <I/σ(I)> | 7.8 | 1.6 |
| Completeness [%] | 99.1 | 99.4 |
| Redundancy | 4.2 | 4.2 |
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) |
