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) |