4JAT
Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched 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 | 72.374, 48.871, 194.616 |
| Unit cell angles | 90.00, 97.95, 90.00 |
Refinement procedure
| Resolution | 37.650 - 2.420 |
| R-factor | 0.20013 |
| Rwork | 0.196 |
| R-free | 0.27626 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 37.650 |
| High resolution limit [Å] | 2.420 |
| Number of reflections | 47290 |
| Completeness [%] | 96.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 0.1M SODIUM ACETATE, 6% PEG 4K AND 10% ISOPROPANOL, pH 5.2, VAPOR DIFFUSION, SITTING DROP |
