3MPI
Structure of the glutaryl-coenzyme A dehydrogenase glutaryl-CoA complex
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 | 2008-11-14 |
| Detector | MAR225 |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.990, 114.790, 122.240 |
| Unit cell angles | 90.00, 133.95, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| R-factor | 0.17771 |
| Rwork | 0.176 |
| R-free | 0.21931 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1siq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.481 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.058 | 0.519 |
| Number of reflections | 100328 | |
| <I/σ(I)> | 12.3 | 3.2 |
| Completeness [%] | 96.5 | 96.6 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.01M MES, 0.5M KCL, 10% (w/v) glycerol, 1 mM dithiothreitol, 1 mM FAD, 2 mM glutaryl-CoA, 15% (v,v) MPD, 0.1 M imidazole, pH 6.5, 0.2 M KCl and 2% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
