3NT4
Crystal structure of myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor NADH and inositol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | I 21 3 |
Unit cell lengths | 184.368, 184.368, 184.368 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.661 - 2.500 |
R-factor | 0.2361 |
Rwork | 0.234 |
R-free | 0.28080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3MZ0 (apo-IDH) |
RMSD bond length | 0.003 |
RMSD bond angle | 0.738 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.7L) |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.960 | 45.960 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.095 | 0.045 | 0.830 |
Total number of observations | 90939 | 35787 | |
Number of reflections | 40387 | ||
<I/σ(I)> | 12.7 | 35.8 | 1.2 |
Completeness [%] | 100.0 | 99.8 | 99.9 |
Redundancy | 19.14 | 21.71 | 8.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.4 | 298 | 0.2M di-sodium tartate, 2.2M ammonium sulfate, pH 5.4, microbatch, temperature 298K |