4B3J
Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase and thiolase active sites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-17 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 248.300, 135.250, 118.580 |
| Unit cell angles | 90.00, 110.64, 90.00 |
Refinement procedure
| Resolution | 48.300 - 2.500 |
| R-factor | 0.18333 |
| Rwork | 0.181 |
| R-free | 0.22140 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.178 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.350 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | 0.560 |
| Number of reflections | 119944 | |
| <I/σ(I)> | 9.1 | 2.5 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2 M AMMONIUM SULFATE, 0.1 M TRIS PH 8.5 |
