3FDU
Crystal structure of a putative enoyl-CoA hydratase/isomerase from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.584, 71.731, 132.885 |
| Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.229 |
| Rwork | 0.226 |
| R-free | 0.28300 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.467 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.563 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.077 | 0.302 |
| Total number of observations | 83491 | |
| Number of reflections | 106796 | |
| <I/σ(I)> | 12.8 | 4.5 |
| Completeness [%] | 99.1 | 97.8 |
| Redundancy | 5.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 294 | 100mM Bis-Tris pH 5.0, 23% PEG 3350, 200mM ammonium sulfate, vapor diffusion, temperature 294K |
