7AGQ
Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 151.120, 153.858, 115.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.840 - 2.800 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.23070 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7agp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.840 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.067 | 1.220 |
| Rmeas | 0.075 | 1.347 |
| Number of reflections | 33365 | 5288 |
| <I/σ(I)> | 17.1 | 1.3 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 5.4 | 5.5 |
| CC(1/2) | 0.999 | 0.571 |
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 |
