1JQB
Alcohol Dehydrogenase from Clostridium Beijerinckii: Crystal Structure of Mutant with Enhanced Thermal Stability
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2000-10-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.700, 147.800, 125.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.970 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kev |
RMSD bond length | 0.006 |
RMSD bond angle | 23.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.072 | 0.464 |
Total number of observations | 1574653 * | |
Number of reflections | 111587 * | |
<I/σ(I)> | 20.4 | 1.98 |
Completeness [%] | 98.1 | 65.1 |
Redundancy | 4.6 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 292 | PEG 4000, Tris-Cl, NaCl, NADP, ZnCl2, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 18 (%) | |
2 | 1 | reservoir | Tris-Cl | 50 (mM) | pH8.2 |
3 | 1 | reservoir | 50 (mM) | ||
4 | 1 | reservoir | NADP | 2 (mM) | |
5 | 1 | reservoir | 50000 (nM) | ||
6 | 1 | drop | protein | 12 (mg/ml) |