7O4S
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and additional binding site (CoA(ECH2))
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 245.414, 136.597, 117.906 |
| Unit cell angles | 90.00, 110.45, 90.00 |
Refinement procedure
| Resolution | 29.760 - 2.790 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b3h |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.505 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.760 | 2.830 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Number of reflections | 88737 | 2378 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 97.6 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.998 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 295 | 2M Ammonium Sulfate, 0.1M Tris pH 8.5 |
