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 |