6IUM
Crystal structure of enoyl-CoA hydratase (ECH) from Ralstonia eutropha H16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.260, 103.154, 97.693 |
| Unit cell angles | 90.00, 107.02, 90.00 |
Refinement procedure
| Resolution | 93.410 - 2.000 |
| R-factor | 0.1783 |
| Rwork | 0.176 |
| R-free | 0.22860 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.884 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.420 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 116041 | 5392 |
| <I/σ(I)> | 20.45 | |
| Completeness [%] | 96.6 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% (w/v) PEG 8000, 100 mM HEPES/Sodium hydroxide pH 7.5 |
