7O4T
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and possible additional binding site (CoA(ECH/HAD))
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 247.539, 136.253, 117.799 |
Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
Resolution | 58.740 - 2.100 |
R-factor | 0.2072 |
Rwork | 0.206 |
R-free | 0.23370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b3h |
RMSD bond length | 0.002 |
RMSD bond angle | 0.545 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.740 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 212119 | 10533 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 99.7 | |
Redundancy | 5.1 | |
CC(1/2) | 0.998 | 0.410 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 295 | 2 M Ammonium Sulfate, 0.1M Tris pH 8.5 |