5ITG
Crystal structure of D-sorbitol dehydrogenase in substrate-free form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-14 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 148.996, 72.996, 97.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.950 |
Rwork | 0.216 |
R-free | 0.25310 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.177 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.084 | 0.074 | 0.373 |
Total number of observations | 1052126 | ||
Number of reflections | 75784 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 96.7 | 93.9 | 75 |
Redundancy | 13.9 | 12.7 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | PEG3350, magnesium chloride, HEPES |