3HAD
BIOCHEMICAL CHARACTERIZATION AND STRUCTURE DETERMINATION OF HUMAN HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE PROVIDE INSIGHT INTO CATALYTIC MECHANISM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1998-08-15 |
| Detector | APS-1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.230, 86.020, 167.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.26400 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 20.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.058 * | |
| Number of reflections | 48014 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.2 * | 99.5 * |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 0.1 M ADA, PH 6.5, 15-20% PEG 4K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | NAD+ | 5 (mM) | |
| 3 | 1 | reservoir | N-[2-acetamido]-2-iminodiacetic acid | 50 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 14-19 (%) |
