9OBO
Crystal structure of Mycobacterium tuberculosis isocitrate lyase 2 fixed in the apo form with disulfide bonds
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.700, 170.864, 104.373 |
| Unit cell angles | 90.00, 94.14, 90.00 |
Refinement procedure
| Resolution | 49.546 - 2.600 |
| Rwork | 0.172 |
| R-free | 0.22350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.873 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.546 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.076 | 0.679 |
| Rpim | 0.041 | 0.354 |
| Number of reflections | 110858 | 5467 |
| <I/σ(I)> | 10.3 | 2.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.4 | 4.6 |
| CC(1/2) | 0.995 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 10% (w/v) PEG8000, 20% ethylene glycol, 0.1 M Tris/Bicine |
