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 |