4KD6
Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 63 |
| Unit cell lengths | 118.481, 118.481, 38.932 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.780 - 2.250 |
| R-factor | 0.18161 |
| Rwork | 0.179 |
| R-free | 0.22969 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.106 | 0.360 |
| Number of reflections | 15059 | |
| <I/σ(I)> | 20.4 | 2 |
| Completeness [%] | 99.6 | 97.4 |
| Redundancy | 20.1 | 16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 35% Dioxane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
