8VZD
Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP, Formyl-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 | C 2 2 21 |
| Unit cell lengths | 100.173, 182.511, 123.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.380 - 2.200 |
| R-factor | 0.1993 |
| Rwork | 0.198 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.561 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.233 | 0.678 |
| Rmeas | 0.247 | 0.798 |
| Rpim | 0.081 | 0.404 |
| Number of reflections | 56818 | 2390 |
| <I/σ(I)> | 6.75 | 1 |
| Completeness [%] | 98.7 | 83.7 |
| Redundancy | 8.2 | 3 |
| CC(1/2) | 0.977 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 50 mM Calcium Chloride, 0.1 M MES 6.0, 45 % (v/v) PEG 200 |
