1JVS
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase; a target enzyme for antimalarial drugs
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.983971, 0.979311, 0.979155 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 182.160, 59.185, 87.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.200 |
| Rwork | 0.213 |
| R-free | 0.24000 * |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 * |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 31.000 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 48222 | |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 277 | Ammonium sulfate, potassium sodium (+)-tartrate, glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.65 (M) | |
| 10 | 1 | drop | dithiothreitol | 1 (mM) | |
| 2 | 1 | reservoir | potassium sodium (+)-tartrate | 0.06 (M) | |
| 3 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
| 4 | 1 | drop | protein | 20 (mg/ml) | |
| 5 | 1 | drop | Tris-Cl | 20 (mM) | pH8.5 |
| 6 | 1 | drop | glycerol | 10 (%) | |
| 7 | 1 | drop | 100 (mM) | ||
| 8 | 1 | drop | 1 (mM) | ||
| 9 | 1 | drop | NADPH | 3 (mM) |
