7D5M
Crystal structure of inositol dehydrogenase homolog complexed with NAD+ from Azotobacter vinelandii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-06-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 54.250, 107.997, 156.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.663 - 1.750 |
| Rwork | 0.179 |
| R-free | 0.19330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dty |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.337 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.041 | 0.208 |
| Number of reflections | 46835 | 2284 |
| <I/σ(I)> | 33.1 | 6 |
| Completeness [%] | 99.7 | |
| Redundancy | 3.6 | 2.7 |
| CC(1/2) | 0.997 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M ammonium tartrate dibasic, pH 7.0, 12% (w/v) PEG 3350, 10 mM NAD+ |
