5IL5
Crystal structure of the dehydratase domain of MlnD 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 | 2015-02-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.050, 37.950, 166.460 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 83.149 - 2.910 |
| R-factor | 0.2299 |
| Rwork | 0.228 |
| R-free | 0.26990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.847 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10pre_2131: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.149 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.094 | 0.403 |
| Number of reflections | 10580 | |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 97.0 | 94.8 |
| Redundancy | 3.1 | 3 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 0.1M Hepes pH7.5 |
