4J2U
Crystal structure of an enoyl-CoA hydratase from Rhodobacter sphaeroides 2.4.1
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 | 2013-02-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 155.336, 54.318, 103.460 |
| Unit cell angles | 90.00, 123.82, 90.00 |
Refinement procedure
| Resolution | 48.050 - 2.000 |
| R-factor | 0.19117 |
| Rwork | 0.188 |
| R-free | 0.24423 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.906 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.360 |
| Number of reflections | 46416 | |
| <I/σ(I)> | 17.5 | 2 |
| Completeness [%] | 95.3 | 68.9 |
| Redundancy | 7.4 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 23% PEG 3350, 0.1M Bis-Tris, 0.2M Ammonium sulfate,2% Ethylene glycol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
