1A4S
BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1997-03-02 |
| Detector | PRINCETON 2K |
| Spacegroup name | P 1 |
| Unit cell lengths | 84.170, 86.220, 88.330 |
| Unit cell angles | 105.20, 115.13, 100.02 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ag8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 25.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.056 * | |
| Number of reflections | 90475 | |
| <I/σ(I)> | 15.1 | 5 |
| Completeness [%] | 75.8 | 38.6 |
| Redundancy | 1.6 | 1.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.1 * | 14 * | PROTEIN WAS CRYSTALLIZED AT 14 DEGREES FROM 20% PEG 4000, 9.5% ISOPROPANOL, 100 MM HEPES, PH 7.5, temperature 287K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 0.1 (M) | |
| 2 | 1 | reservoir | isopropanol | 9.5 (%) | |
| 3 | 1 | reservoir | PEG4000 | 20 (%) | |
| 4 | 1 | drop | protein | 4 (mg/ml) | |
| 5 | 1 | drop | NAD+ | 1 (mM) | |
| 6 | 1 | drop | Bis-Tris | 20 (mM) | |
| 7 | 1 | drop | 150 (mM) | ||
| 8 | 1 | drop | DTE | 0.1 (mM) |
