3HEM
Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 106.857, 106.857, 224.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.261 - 2.390 |
Rwork | 0.243 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.643 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.390 |
Number of reflections | 23172 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |