4B3I
Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase active sites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 248.160, 135.970, 118.160 |
| Unit cell angles | 90.00, 110.43, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.630 |
| R-factor | 0.18801 |
| Rwork | 0.186 |
| R-free | 0.22948 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.058 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.070 | 2.770 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.140 | 0.700 |
| Number of reflections | 103601 | |
| <I/σ(I)> | 8.5 | 2.1 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2M AMMONIUM SULFATE, 0.1 M TRIS PH8.5 |
