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 |
