4K2N
Crystal structure of an enoyl-CoA hydratase/ carnithine racemase from Magnetospirillum magneticum
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 | I 2 3 |
| Unit cell lengths | 120.310, 120.310, 120.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.570 - 2.000 |
| R-factor | 0.1956 |
| Rwork | 0.195 |
| R-free | 0.21190 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.309 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.135 | 0.667 |
| Number of reflections | 19654 | |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 33.3 | 33.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Sodium Chloride, HEPES, PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
