6AHE
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252
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 | P 21 21 21 |
| Unit cell lengths | 79.529, 89.573, 159.473 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.740 - 2.290 |
| R-factor | 0.20676 |
| Rwork | 0.204 |
| R-free | 0.26764 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zju |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.861 |
| 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] | 87.670 | 2.360 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.059 | 0.357 |
| Number of reflections | 51845 | 4194 |
| <I/σ(I)> | 11.2 | 2 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.1M MES pH 6.5, 100mM NaCl, 5% PEG3350 |
