1WZ8
Crystal Structure of Probable Enoyl-CoA Dehydratase from Thermus Thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-10-16 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.485, 127.065, 146.393 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.140 - 1.800 |
| Rwork | 0.224 |
| R-free | 0.25840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iuy |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| 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 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.099 | 0.456 |
| Number of reflections | 131809 | |
| <I/σ(I)> | 7.9 | 4.3 |
| Completeness [%] | 99.8 | 96.9 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.85 | 295 | MPD, MES, NaOH, pH 5.85, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
