3Q0V
ETHR From mycobacterium tuberculosis in complex with compound bdm31369
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 41 |
| Unit cell lengths | 121.560, 121.560, 33.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.16926 |
| Rwork | 0.166 |
| R-free | 0.22754 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.863 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.950 |
| Number of reflections | 36781 |
| Completeness [%] | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Crystals were obtained by the vapor diffusion method, using 0.17M ammonium sulfate, 0.085M sodium cacodylate (pH 6.5), 15% glycerol and 25 35% polyethylene glycol 8,000 as the crystallization solution. The ligands were dissolved in 100% DMSO., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
