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 |