1E3S
Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX7.2 |
| Synchrotron site | SRS |
| Beamline | PX7.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.280, 68.960, 69.550 |
| Unit cell angles | 64.84, 72.51, 74.98 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.189 * |
| Rwork | 0.189 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hsd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.030 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.227 |
| Number of reflections | 62009 | |
| <I/σ(I)> | 13 | 3.1 |
| Completeness [%] | 94.9 | 91.6 |
| Redundancy | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 18 * | HANGING DROP PROT: 5MG/ML, 0.75 MM NADH, 50 MM NACL, 10 MM HEPES PH 7.5 WELL: 30% 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) |
