6BJB
Crystal structure of Acat2-C91S thiolase from Ascaris suum in complex with propionyl-CoA and nitrate
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 | 2015-08-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115859 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 71.888, 88.621, 141.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.108 - 1.500 |
| R-factor | 0.15013435997 |
| Rwork | 0.149 |
| R-free | 0.17303 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bj9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.367 |
| 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] | 75.110 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.079 | 0.426 |
| Number of reflections | 144700 | 14328 |
| <I/σ(I)> | 9.03 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M ammonium nitrate, 20% w/v PEG 3350 |
