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 |