1LLU
THE TERNARY COMPLEX OF PSEUDOMONAS AERUGINOSA ALCOHOL DEHYDROGENASE WITH ITS COENZYME AND WEAK SUBSTRATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-11-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.171, 86.328, 125.698 |
| Unit cell angles | 79.34, 78.66, 71.58 |
Refinement procedure
| Resolution | 19.990 - 2.300 |
| Rwork | 0.229 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ykf |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 24.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.108 * | 0.463 * |
| Number of reflections | 123136 | |
| <I/σ(I)> | 12.1 | 2.8 |
| Completeness [%] | 96.4 | 94.2 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 19 * | 2mM NAD+, 16mM Spermine, 14% Polyethelene Glycol Monomethyl Ether 2000, 12mM Sodium Potassium Tartrate, 100mM Tris pH 8.6, 0.1mM DTT, 0.007% Sodium Azide, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 MME | 14 (%) | |
| 2 | 1 | reservoir | sodium potassium tartrate | 12 (mM) | |
| 3 | 1 | reservoir | Tris | 100 (mM) | |
| 4 | 1 | reservoir | dithiothreitol | 0.1 (mM) | |
| 5 | 1 | reservoir | sodium azide | 0.007 (%) | pH8.6 |
| 6 | 1 | drop | protein | 3.8 (mg/ml) | |
| 7 | 1 | drop | NAD+ | 2 (mM) |
