1UIY
Crystal Structure of Enoyl-CoA Hydratase from Thermus Thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.980 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 131.233, 131.233, 110.608 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.850 |
| Rwork | 0.203 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dub |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.980 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.068 | 0.451 |
| Number of reflections | 15761 | |
| <I/σ(I)> | 13.2 | 5.7 |
| Completeness [%] | 100.0 | 86.2 |
| Redundancy | 7.69 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.9 | 295 | Na Citrate 0.72M, Acetate 0.1M, pH 5.9, microbatch, temperature 295K |
