4Z38
Crystal structure of enoyl reductase domain of MlnA from the macrolactin biosynthesis cluster from Bacillus amyloliquefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.170, 104.670, 216.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 108.050 - 2.800 |
| R-factor | 0.2469 |
| Rwork | 0.246 |
| R-free | 0.26250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z6j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.050 | 2.920 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.068 | 0.700 |
| Number of reflections | 23587 | |
| <I/σ(I)> | 18.8 | 1.7 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15 % PEG3350, 0.2 M sodium malonate, pH 7 |
