1PL7
Human Sorbitol Dehydrogenase (apo)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-06-08 |
Detector | BRANDEIS - B1.2 |
Wavelength(s) | 0.979 |
Spacegroup name | P 62 |
Unit cell lengths | 134.946, 134.946, 224.686 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.200 * - 2.200 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.23300 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 24.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.122 | 0.527 |
Number of reflections | 125211 | |
<I/σ(I)> | 11.6 | 2 |
Completeness [%] | 92.2 | 60.4 |
Redundancy | 4. * | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 * | 22 * | NH4OAc, NaCitrate, PEG 4000, pH 6.15, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.0 (mg/ml) | |
10 | 1 | reservoir | dithiothreitol | 2.5 (mM) | |
2 | 1 | drop | HEPES-NaOH | 20 (mM) | pH7.8 |
3 | 1 | drop | 100 (mM) | ||
4 | 1 | drop | dithiothreitol | 2 (mM) | |
5 | 1 | drop | NADH | 0.1 (mM) | |
6 | 1 | drop | CP-166,572 | 0.2 (mM) | |
7 | 1 | reservoir | 150 (mM) | ||
8 | 1 | reservoir | sodium citrate | 100 (mM) | pH6.15 |
9 | 1 | reservoir | PEG4000 | 30 (%) |