3R44
Mycobacterium tuberculosis fatty acyl CoA synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.000, 57.000, 249.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.860 - 1.800 |
| R-factor | 0.1641 |
| Rwork | 0.162 |
| R-free | 0.19925 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ult |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.705 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 41486 | |
| <I/σ(I)> | 12.7 | 2.01 |
| Completeness [%] | 96.7 | 87.7 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 0.1 M Hepes, 20 mM Magnesium chloride, 23% (w/v) polyacrylic acid, 10mM Coenzyme A, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
