8VZA
Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, L-Lactyl-CoA, and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-24 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.409, 102.679, 104.344 |
| Unit cell angles | 114.10, 96.74, 105.23 |
Refinement procedure
| Resolution | 49.520 - 2.050 |
| R-factor | 0.2085 |
| Rwork | 0.207 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.773 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.189 | 0.671 |
| Rmeas | 0.223 | 0.823 |
| Rpim | 0.116 | 0.471 |
| Number of reflections | 144733 | 5583 |
| <I/σ(I)> | 7.92 | 1.44 |
| Completeness [%] | 94.9 | 73.2 |
| Redundancy | 3.5 | 2.7 |
| CC(1/2) | 0.928 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1 M TrisHCl pH 7.0, 20 % (w/v) PEG2000MME |
