9JHE
3-hydroxybutyryl-CoA dehydrogenase with NAD
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 | 2019-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.821, 80.476, 128.345 |
| Unit cell angles | 90.00, 102.19, 90.00 |
Refinement procedure
| Resolution | 46.640 - 2.550 |
| R-factor | 0.2144 |
| Rwork | 0.212 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 7.241 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 2.550 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.088 | 0.305 |
| Number of reflections | 54528 | 2381 |
| <I/σ(I)> | 26.9 | 12.8 |
| Completeness [%] | 91.7 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | ammonium acetate, bis-tris/HCl, PEG 3,350 |
