3TZZ
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the carboxypalmitoylated form at 2.5 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-22 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9330 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.331, 106.331, 261.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.960 - 2.490 |
| R-factor | 0.23088 |
| Rwork | 0.228 |
| R-free | 0.27848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.327 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.400 | 2.600 |
| High resolution limit [Å] | 2.490 | 2.500 |
| Number of reflections | 49362 | |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 92.8 | 91.5 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 0.1M HEPES, 1.7M ammonium sulfate, 15% glycerol, 1.7% PEG-400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
