1PED
BACTERIAL SECONDARY ALCOHOL DEHYDROGENASE (APO-FORM)
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-09-22 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.400, 102.260, 193.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.25800 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.960 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.042 | |
| Number of reflections | 69617 | |
| <I/σ(I)> | 28.5 | 4.68 |
| Completeness [%] | 79.0 | 51.3 |
| Redundancy | 2.48 | 1.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 293 * | SEE REFERENCE 1., pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 0.1 (mM) | |
| 5 | 1 | drop | 0.05 (M) | ||
| 6 | 1 | reservoir | PEG4000 | 16 (%) | |
| 7 | 1 | reservoir | 50 (mM) | ||
| 8 | 1 | reservoir | Tris-HCl | 50 (mM) |
