3GOA
Crystal structure of the Salmonella typhimurium FadA 3-ketoacyl-CoA thiolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-02-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.000, 64.500, 74.400 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.145 |
| Rwork | 0.142 |
| R-free | 0.19200 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.443 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.126 | 0.497 |
| Number of reflections | 73958 | |
| <I/σ(I)> | 13.14 | 3.4 |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 20% PEG3350, 50mM calcium chloride, 100mM tris, 5mM Acetyl-CoA, pH 8.5, VAPOR DIFFUSION, temperature 298K |
