1R37
Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-04-07 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.064, 83.014, 68.674 |
| Unit cell angles | 90.00, 96.46, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| Rwork | 0.193 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.610 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.058 | 0.071 |
| Total number of observations | 70105 * | |
| Number of reflections | 29287 | |
| <I/σ(I)> | 14 | 8.8 |
| Completeness [%] | 89.5 | 60.8 |
| Redundancy | 2.4 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 23 * | 40%(V/V) 2-ethoxyethanol, 100MM NA/K phosphate, 200MM NACL, 2MM NAD+(NADH), pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | NAD+ | 2 (mM) | |
| 3 | 1 | drop | 2,2,2-trifluoroethanol | 10 (mM) | |
| 4 | 1 | reservoir | sodium/pootassium phosphate | 100 (mM) | pH6.2 |
| 5 | 1 | reservoir | 200 (mM) | ||
| 6 | 1 | reservoir | 2-ethoxyethanol | 40 (%(v/v)) |
