6BJ9
Crystal structure of Acat2 thiolase from Ascaris suum
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 | 2014-10-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115864 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 71.574, 88.123, 142.265 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.915 - 1.530 |
| R-factor | 0.139978006653 |
| Rwork | 0.139 |
| R-free | 0.15995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ib8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.290 |
| 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] | 75.000 | 1.585 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.067 | 0.387 |
| Number of reflections | 135412 | 12914 |
| <I/σ(I)> | 11.5 | 2.49 |
| Completeness [%] | 99.6 | 96.2 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M tri-potassium citrate, 20% w/v PEG 3350 |
