4JAR
Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide intermediates and evidence that it synthesize ALKYLPYRONES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.598, 48.521, 195.234 |
| Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
| Resolution | 38.240 - 1.980 |
| R-factor | 0.27 |
| Rwork | 0.268 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.298 |
| Data reduction software | XFIT |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.6_289)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.970 |
| Rmerge | 0.071 |
| Number of reflections | 66722 |
| <I/σ(I)> | 7.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Magnesium formate dihydrate, 20% w/v Polyethylene glycol 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
