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 |