9JI0
3-Hydroxybutyryl-CoA dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.664, 126.609, 108.093 |
| Unit cell angles | 90.00, 110.19, 90.00 |
Refinement procedure
| Resolution | 48.040 - 2.690 |
| R-factor | 0.2474 |
| Rwork | 0.246 |
| R-free | 0.29420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.119 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.17rc1_3605: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.040 | 2.750 |
| High resolution limit [Å] | 2.690 | 2.700 |
| Rmerge | 0.011 | |
| Number of reflections | 119164 | 2998 |
| <I/σ(I)> | 8.14 | |
| Completeness [%] | 98.1 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Lithium sulfate, Tris/HCl, Ammonium sulfate |
