1U8V
Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.90004,1.73652,1.74314 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.300, 130.200, 175.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.000 - 1.600 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.21200 |
| Structure solution method | MAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.750 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SnB |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 563317 | |
| <I/σ(I)> | 11.5 | 4.1 |
| Completeness [%] | 96.4 | 96.4 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | PEG 4000, lithium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
