8VZB
Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, D-Lactyl-CoA, and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0328 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.709, 178.005, 196.111 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.270 - 1.980 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.741 |
| Data scaling software | XDS |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 131.810 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.275 | 2.039 |
| Rmeas | 0.300 | 2.374 |
| Rpim | 0.118 | 1.185 |
| Number of reflections | 165964 | 9734 |
| <I/σ(I)> | 7.8 | 0.9 |
| Completeness [%] | 97.3 | 83.9 |
| Redundancy | 12 | 7.2 |
| CC(1/2) | 0.995 | 0.435 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M ammonium phosphate dibasic, 20 % (w/v) PEG3350 |
