3LSY
Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-01-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 132.035, 132.035, 83.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.140 - 2.850 |
| R-factor | 0.21943 |
| Rwork | 0.216 |
| R-free | 0.27730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uh5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.434 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.140 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.159 | 0.531 |
| Number of reflections | 16690 | |
| <I/σ(I)> | 7.5 | 2.6 |
| Completeness [%] | 95.3 | 91.5 |
| Redundancy | 5.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 3M ammonium sulphate, 0.1M MES buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
