1X74
Alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis- mutational and structural characterization of the fold and active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8112 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.073, 79.779, 117.619 |
| Unit cell angles | 90.00, 92.04, 90.00 |
Refinement procedure
| Resolution | 19.960 - 1.790 |
| R-factor | 0.16215 |
| Rwork | 0.160 |
| R-free | 0.19333 |
| Structure solution method | MIR |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.130 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.860 |
| High resolution limit [Å] | 1.790 | 1.800 |
| Rmerge | 0.069 | 0.373 |
| Number of reflections | 155993 | |
| <I/σ(I)> | 16.5 | 3.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | Ammonium phosphate, pH 7.0, VAPOR DIFFUSION, temperature 294K |
