8OQP
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 250.935, 132.803, 119.290 |
| Unit cell angles | 90.00, 110.46, 90.00 |
Refinement procedure
| Resolution | 69.730 - 2.180 |
| R-factor | 0.1974 |
| Rwork | 0.196 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.534 |
| 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] | 117.550 | 2.350 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Number of reflections | 145082 | 7255 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 95.3 | |
| Redundancy | 7 | |
| CC(1/2) | 0.990 | 0.550 |
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 |
