6AH9
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.212, 77.245, 85.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.230 - 1.740 |
R-factor | 0.19776 |
Rwork | 0.195 |
R-free | 0.24081 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zju |
RMSD bond length | 0.018 |
RMSD bond angle | 1.931 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.600 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.061 | 0.249 |
Number of reflections | 26533 | 1390 |
<I/σ(I)> | 13.3 | 4 |
Completeness [%] | 99.7 | 95.9 |
Redundancy | 6.4 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 0.1M MES pH 5.5, 100mM NaCl, 10% PEG3350 |