6D8J
Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 51.972, 51.972, 74.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.276 - 1.630 |
| R-factor | 0.1649 |
| Rwork | 0.163 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6d8i |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.761 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
| Rmerge | 0.079 | 0.037 | 0.546 |
| Rmeas | 0.083 | 0.040 | 0.578 |
| Rpim | 0.026 | 0.013 | 0.183 |
| Total number of observations | 122439 | ||
| Number of reflections | 12933 | 695 | 630 |
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 96.7 | 89.2 | 98.4 |
| Redundancy | 9.5 | 9 | 9.5 |
| CC(1/2) | 0.998 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.2 M calcium acetate, 0.1 M sodium cacodylate, pH 6.5, 18-24% PEG8000 |
