4NEK
Putative enoyl-CoA hydratase/carnithine racemase from Magnetospirillum magneticum AMB-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97912 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.285, 156.683, 79.297 |
| Unit cell angles | 90.00, 113.81, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.20730 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.581 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.147 | 0.026 | 0.868 |
| Number of reflections | 74539 | ||
| <I/σ(I)> | 7 | ||
| Completeness [%] | 99.3 | 99.8 | 93.1 |
| Redundancy | 5.1 | 5.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG550 30%, 0.05 M Magnesium chloride hexahydrate, HEPES 0.1M pH 7.5, 1.5 M NaCl, vapor diffusion, sitting drop, temperature 293K |
