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 |