3LT2
Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 131.018, 131.018, 82.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.530 - 2.500 |
R-factor | 0.19816 |
Rwork | 0.196 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uh5 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.492 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.530 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.130 | 0.372 |
Number of reflections | 25580 | |
<I/σ(I)> | 12.5 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 2.8-3M ammonium sulphate, 0.1 M MES buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |