5HST
Crystal structure of the dehydratase domain of MlnB from Bacillus amyloliquefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 57.660, 77.440, 138.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.102 - 2.100 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.646 |
| 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] | 36.107 | 2.240 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.064 | 1.116 |
| Number of reflections | 36974 | |
| <I/σ(I)> | 16.1 | 1.5 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M MgCl2, Hepes pH 7.5, 20% PEG3350 |
