6BJA
Crystal structure of Acat5 thiolase from Ascaris suum in complex with coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.662, 111.780, 112.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.383 - 1.600 |
| R-factor | 0.147306909643 |
| Rwork | 0.146 |
| R-free | 0.17257 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ib8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.333 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.400 | 1.657 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.286 |
| Number of reflections | 59736 | 5698 |
| <I/σ(I)> | 15.67 | 3.08 |
| Completeness [%] | 99.6 | 96.4 |
| Redundancy | 10.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 2 M sodium malonate, pH 6.5 |
