8VZI
Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase CcHACS from Conidiobolus coronatus 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 | P 1 21 1 |
| Unit cell lengths | 64.742, 179.286, 96.826 |
| Unit cell angles | 90.00, 108.23, 90.00 |
Refinement procedure
| Resolution | 44.820 - 1.850 |
| R-factor | 0.1578 |
| Rwork | 0.156 |
| R-free | 0.19630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.860 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.107 | 0.818 |
| Rmeas | 0.114 | 0.890 |
| Rpim | 0.039 | 0.343 |
| Number of reflections | 167273 | 6685 |
| <I/σ(I)> | 14.7 | 1.27 |
| Completeness [%] | 94.1 | 76.1 |
| Redundancy | 7.8 | 5.8 |
| CC(1/2) | 0.996 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M amino acid (20 mM DL-glutamic acid, 20 mM DL-alanine, 20 mM glycine, 20 mM DL-lysine), 0.1 M Imidazole; MES pH 6.5, 20 % (v/v) Ethylene glycol, 10 % (w/v) PEG 8000 |
