8OQT
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-91
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 | 247.476, 133.228, 115.928 |
Unit cell angles | 90.00, 109.64, 90.00 |
Refinement procedure
Resolution | 54.590 - 2.620 |
R-factor | 0.2012 |
Rwork | 0.199 |
R-free | 0.24550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.448 |
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] | 116.536 | 3.010 |
High resolution limit [Å] | 2.619 | 2.619 |
Number of reflections | 58657 | 3666 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 91.7 | |
Redundancy | 7 | |
CC(1/2) | 0.977 | 0.301 |
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 |