3LT0
Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1
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 | 131.063, 131.063, 82.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.840 - 1.960 |
R-factor | 0.17399 |
Rwork | 0.172 |
R-free | 0.20461 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uh5 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.474 |
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 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.081 | 0.524 |
Number of reflections | 52358 | |
<I/σ(I)> | 30.7 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 9.9 |
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 |