8OQR
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 250.702, 135.613, 120.892 |
| Unit cell angles | 90.00, 110.27, 90.00 |
Refinement procedure
| Resolution | 47.920 - 2.400 |
| R-factor | 0.2217 |
| Rwork | 0.220 |
| R-free | 0.25960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.501 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.589 | 2.637 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 118277 | 9856 |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 91.8 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.982 | 0.339 |
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 |
