3AM5
K316A mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-03-18 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 131.110, 131.110, 82.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 2.050 |
| R-factor | 0.16626 |
| Rwork | 0.164 |
| R-free | 0.20693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uh5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.544 |
| 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] | 51.400 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.083 | 0.461 |
| Number of reflections | 45800 | |
| <I/σ(I)> | 20.3 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 289 | 3M ammonium sulphate, 0.1M MES buffer, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
