3AM4
A372M mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 130.680, 130.680, 82.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.000 - 2.300 |
R-factor | 0.21083 |
Rwork | 0.208 |
R-free | 0.26070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uh5 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.586 |
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] | 65.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.125 | 0.607 |
Number of reflections | 31715 | |
<I/σ(I)> | 14.2 | 2.7 |
Completeness [%] | 98.6 | 99.2 |
Redundancy | 8.1 | 7.9 |
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 |