8VZJ
Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase DhcHACS from Dehalococcoidia bacterium in the Complex with THDP 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 | 2022-12-13 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 324.220, 77.840, 229.550 |
| Unit cell angles | 90.00, 134.53, 90.00 |
Refinement procedure
| Resolution | 40.530 - 2.700 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.517 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.530 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.175 | 1.686 |
| Rmeas | 0.190 | 1.821 |
| Number of reflections | 112373 | 5449 |
| <I/σ(I)> | 10.1 | 1.1 |
| Completeness [%] | 99.7 | 97.8 |
| Redundancy | 8.5 | 7 |
| CC(1/2) | 0.996 | 0.423 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 289 | 0.2 M D/L-Malic acid pH 5.3, 20 % (w/v) PEG |
