4K3W
Crystal structure of an enoyl-CoA hydratase/isomerase from Marinobacter aquaeolei
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 | 2013-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 232.355, 135.143, 43.042 |
| Unit cell angles | 90.00, 99.09, 90.00 |
Refinement procedure
| Resolution | 44.240 - 2.310 |
| R-factor | 0.19683 |
| Rwork | 0.195 |
| R-free | 0.22747 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.480 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.116 | 0.793 |
| Number of reflections | 57676 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Lithium Sulfate, Bis-Tris, PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
