3Q0U
EthR from Mycobacterium tuberculosis in complex with compound BDM31379
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 21 2 |
Unit cell lengths | 122.170, 122.170, 33.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 1.700 |
R-factor | 0.20184 |
Rwork | 0.200 |
R-free | 0.23352 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.303 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.700 |
Number of reflections | 28678 |
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 |