7D5N
Crystal structure of inositol dehydrogenase homolog complexed with NADH and myo-inositol from Azotobacter vinelandii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2011-11-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.810, 151.530, 48.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.166 - 1.800 |
Rwork | 0.179 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dty |
RMSD bond length | 0.007 |
RMSD bond angle | 1.425 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.064 | 0.558 |
Number of reflections | 63455 | 2999 |
<I/σ(I)> | 19.9 | 2.5 |
Completeness [%] | 92.5 | 59.7 |
Redundancy | 6.9 | 5.3 |
CC(1/2) | 0.999 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Ca acetate, 14% PEG3350,10 mM NADH, 50 mM myo-inositol |