7AGT
Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated with Malonyl-coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8726 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 148.476, 156.119, 115.552 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.110 - 2.901 |
| R-factor | 0.1924 |
| Rwork | 0.192 |
| R-free | 0.20920 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7agp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.110 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.061 | 0.971 |
| Rmeas | 0.071 | 1.141 |
| Number of reflections | 29200 | 4653 |
| <I/σ(I)> | 16.3 | 1.3 |
| Completeness [%] | 97.2 | 97.2 |
| Redundancy | 3.8 | 3.5 |
| CC(1/2) | 0.999 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 1.1 M sodium succinate 0.1 M sodium acetate buffer |
