8PF8
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91589 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 250.961, 134.614, 119.974 |
| Unit cell angles | 90.00, 110.44, 90.00 |
Refinement procedure
| Resolution | 112.420 - 2.230 |
| R-factor | 0.1879 |
| Rwork | 0.186 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.530 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.420 | 2.470 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 131177 | 6560 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 95.7 | |
| Redundancy | 5.3 | |
| CC(1/2) | 0.998 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 2 M Ammonium Sulfate, 0.1M Tris pH 8.5 |
