7AGR
Structure of the M624V-S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis soaked with MethylMalonyl Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98011 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 151.803, 152.232, 115.131 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.700 - 2.800 |
| R-factor | 0.1971 |
| Rwork | 0.196 |
| R-free | 0.21880 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7agp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.070 |
| 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] | 48.700 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.062 | 1.891 |
| Rmeas | 0.067 | 2.033 |
| Number of reflections | 33129 | 5286 |
| <I/σ(I)> | 19 | 1 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.3 | 7.4 |
| CC(1/2) | 0.999 | 0.668 |
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 |
