2PD4
Crystal Structure of the Helicobacter pylori Enoyl-Acyl Carrier Protein Reductase in Complex with Hydroxydiphenyl Ether Compounds, Triclosan and Diclosan
Replaces: 1JW7Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6B |
Synchrotron site | PAL/PLS |
Beamline | 6B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-12-13 |
Detector | MAC Science DIP-2030 |
Wavelength(s) | 1.0072 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.253, 95.072, 75.019 |
Unit cell angles | 90.00, 106.53, 90.00 |
Refinement procedure
Resolution | 28.950 - 2.300 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID code 1DFI |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.000 |
High resolution limit [Å] | 2.300 |
Number of reflections | 39424 |
Completeness [%] | 89.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 296 | 100mM sodium acetate buffer, pH 4.8, 100mM ammonium sulfate, 23%(w/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K |