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 (%) |
