1EE2
THE STRUCTURE OF STEROID-ACTIVE ALCOHOL DEHYDROGENASE AT 1.54 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.030, 73.160, 92.490 |
| Unit cell angles | 90.00, 102.48, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.540 |
| R-factor | 0.145 * |
| Rwork | 0.145 |
| R-free | 0.18300 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.037 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.106 | 0.250 |
| Number of reflections | 103854 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 98.3 * | 97.2 |
| Redundancy | 4.16 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | used micro bridge * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | reservoir | NAD+ | 4 (mM) | |
| 3 | 1 | reservoir | cholic acid | 5 (mM) | |
| 4 | 1 | reservoir | PEG400 | 20 (%) | can be replaced by 10% PEG8000 |
| 5 | 1 | reservoir | TES | 0.1 (M) | can be replaced by 0.1M KOH, pH7.0 |
