1E3W
Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and 3-keto butyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.603, 67.426, 67.500 |
| Unit cell angles | 65.22, 73.27, 75.67 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.157 * |
| Rwork | 0.189 |
| R-free | 0.19600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hsd |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 0.028 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.291 |
| Number of reflections | 148442 | |
| <I/σ(I)> | 19.7 | 2.1 |
| Completeness [%] | 92.0 | 60.4 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 18 * | HANGING DROP PROT: 10MG/ML, 0.4 MM ACETOACETYL COA, 1 MM NADH, 10 MM HEP WELL: 28% PEG 4000, 0.2 M LI SO4, 0.1 M TRIS PH 8.5. 18 C |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | Tris | 0.1 (M) | |
| 4 | 1 | drop | protein | 5 (mg/ml) | |
| 5 | 1 | drop | NADH | 750 (M) | |
| 6 | 1 | drop | 50 (mM) | ||
| 7 | 1 | drop | HEPES | 10 (mM) |
