4MIO
Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD(H) and myo-inositol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.693, 110.480, 126.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.865 - 1.500 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.338 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.280 | 48.865 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.037 | 0.797 | |
| Total number of observations | 54641 | 213461 | |
| Number of reflections | 238638 | ||
| <I/σ(I)> | 16.8 | 14.3 | 0.9 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7 | 6.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 298 | ammonium sulfate, pH 6.5, MICROBATCH, temperature 298K |
