4JFC
Crystal structure of a enoyl-CoA hydratase from Polaromonas sp. JS666
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 | 2013-02-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 63 |
| Unit cell lengths | 111.182, 111.182, 41.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.190 - 2.250 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.21100 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.737 |
| 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 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.074 | 0.262 |
| Number of reflections | 13200 | |
| <I/σ(I)> | 21.7 | 1.5 |
| Completeness [%] | 93.8 | 64.7 |
| Redundancy | 13.4 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG 3350, 0.1M Tris, 0.2M MgCl2, 0.01M CsCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
