1SG4
Crystal structure of human mitochondrial delta3-delta2-enoyl-CoA isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.802 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.984, 78.288, 113.209 |
| Unit cell angles | 90.00, 116.39, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.300 |
| R-factor | 0.157 |
| Rwork | 0.157 |
| R-free | 0.20200 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.310 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.057 | 0.201 |
| Number of reflections | 182696 | |
| <I/σ(I)> | 17.3 | 2.7 |
| Completeness [%] | 94.5 | 82.1 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 294.15 | PEG 6000, sodium acetate, sodium cloride, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 294.15 | PEG 6000, sodium acetate, sodium cloride, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K |
