1NNU
Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-carrier-protein reductase with Triclosan Analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2001-03-06 |
Detector | MACSCIENCE |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 133.097, 133.097, 83.689 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.176 |
R-free | 0.22700 |
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] | 2.500 |
Rmerge | 0.098 * |
Number of reflections | 26564 * |
Completeness [%] | 94.8 |
Redundancy | 3.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 100 mM sodium acetate, 2.35 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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 | MES | 100 (mM) | pH5.6 |