3G1O
EthR from Mycobacterium tuberculosis in complex with compound BDM14500
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.230, 121.230, 33.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.420 - 1.850 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.27666 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.586 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.420 | 1.898 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 20428 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.17 M ammonium sulfate, 0.085 M Na-cacodylate (pH 6.5), 15% glycerol, and 25% polyethylene glycol 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
