3MZ0
Crystal structure of apo myo-inositol dehydrogenase from Bacillus subtilis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97961 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.207, 120.054, 129.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.696 - 1.539 |
| R-factor | 0.1759 |
| Rwork | 0.175 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | low resolution SeMet-IDH model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.101 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 1.600 |
| High resolution limit [Å] | 1.539 | 1.539 |
| Rmerge | 0.076 | 0.231 |
| Number of reflections | 60036 | |
| <I/σ(I)> | 16.2 | 7.7 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 6.9 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 277 | 0.2M MgCl2, 0.1M HEPES pH 7.5, 30% PEG 400, microbatch, temperature 277K |
