4JD3
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 |
| Collection date | 2009-04-06 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.166, 48.863, 194.473 |
| Unit cell angles | 90.00, 97.82, 90.00 |
Refinement procedure
| Resolution | 32.110 - 2.250 |
| R-factor | 0.19922 |
| Rwork | 0.194 |
| R-free | 0.29400 |
| 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] | 32.110 |
| High resolution limit [Å] | 2.240 |
| Rmerge | 0.160 |
| Number of reflections | 44347 |
| Completeness [%] | 71.0 |
| Redundancy | 0.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 289 | 0.2M ZINC ACETATE AND 20% PEG3350, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
