4JCS
Crystal structure of Enoyl-CoA hydratase/isomerase from Cupriavidus metallidurans CH34
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 93.688, 93.688, 193.566 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.770 |
| R-factor | 0.21063 |
| Rwork | 0.209 |
| R-free | 0.23420 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.078 | 0.312 |
| Number of reflections | 31253 | |
| <I/σ(I)> | 18.8 | |
| Completeness [%] | 97.4 | 100 |
| Redundancy | 21.1 | 21.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.1M Ammonium Tartrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
