4K29
Crystal structure of an enoyl-CoA hydratase/isomerase from Xanthobacter autotrophicus Py2
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 | 2013-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 115.052, 144.576, 129.568 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.490 - 1.660 |
| R-factor | 0.18207 |
| Rwork | 0.181 |
| R-free | 0.19799 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.069 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.115 | 0.260 |
| Number of reflections | 126795 | |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 99.8 | 98 |
| Redundancy | 13.9 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.8M Potassium Sodium Tartrate, 0.1M TRIS, 0.5% PEGMME 5000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
