7AGS
Structure of the AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated MethylMalonyl-CoenzymeA
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 | 2011-11-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 147.740, 156.590, 115.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.490 - 3.100 |
| R-factor | 0.1761 |
| Rwork | 0.175 |
| R-free | 0.19560 |
| 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] | 23.490 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmeas | 0.087 | 0.644 |
| Number of reflections | 23423 | 3481 |
| <I/σ(I)> | 8.6 | 1.8 |
| Completeness [%] | 95.8 | 98.1 |
| Redundancy | 3.4 |
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 |
