1NHG
CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-17 |
| Detector | MACSCIENCE |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 133.082, 133.082, 84.157 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.430 |
| Rwork | 0.171 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.430 |
| Rmerge | 0.095 * |
| Number of reflections | 29010 * |
| Completeness [%] | 96.9 |
| Redundancy | 5.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 282 | 2.35 M (NH4)2SO4, 100 mM sodium acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 282K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | protein | 20 (mg/ml) | |
| 4 | 1 | drop | NAD+ | 4 (mM) | |
| 5 | 1 | drop | triclosan | 1 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 2.35 (M) | |
| 7 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.6 |
