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 |