3LT1
Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 131.107, 131.107, 82.982 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.890 - 2.200 |
| R-factor | 0.18177 |
| Rwork | 0.180 |
| R-free | 0.22455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uh5 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.589 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.084 | 0.729 |
| Number of reflections | 37309 | |
| <I/σ(I)> | 24.3 | 2.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.6 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 2.8-3M ammonium sulphate, 0.1M MES buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
