2F6Q
The crystal structure of human peroxisomal delta3, delta2 enoyl CoA isomerase (PECI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979097 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.931, 123.196, 128.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.21516 |
| Rwork | 0.213 |
| R-free | 0.25728 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.316 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 54609 | |
| Completeness [%] | 99.2 | 99.2 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20 % isopropanol, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
