2G04
Crystal structure of fatty acid-CoA racemase from Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-04 |
| Detector | BRUKER PROTEUM 300 |
| Wavelength(s) | 1.12714 |
| Spacegroup name | P 32 |
| Unit cell lengths | 109.562, 109.562, 147.973 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x74 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.820 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.080 | |
| Number of reflections | 52589 | |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 95.8 | 86.2 |
| Redundancy | 3.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 20% PEG 4000, 0.2M Amm, chloride, 0.01M Ca, chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
