7O4R
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the thiolase active sites and additional binding site (CoA(HAD/KAT))
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0722 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 248.254, 135.752, 119.304 |
Unit cell angles | 90.00, 110.51, 90.00 |
Refinement procedure
Resolution | 48.500 - 2.790 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b3h |
RMSD bond length | 0.001 |
RMSD bond angle | 0.416 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.900 |
High resolution limit [Å] | 2.790 | 2.790 |
Number of reflections | 81071 | 4054 |
<I/σ(I)> | 10.5 | |
Completeness [%] | 95.1 | |
Redundancy | 3.4 | |
CC(1/2) | 0.995 | 0.473 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 295 | 2 M Ammonium Sulfate, 0.1M Tris pH 8.5 |