3Q3S
EthR from Mycobacterium tuberculosis in complex with compound BDM5683
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Wavelength(s) | 0.933 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.160, 121.160, 33.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.900 - 2.000 |
R-factor | 0.19117 |
Rwork | 0.189 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.508 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.900 |
High resolution limit [Å] | 2.000 |
Number of reflections | 17607 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1mM Mes pH6.5, 1.5M Ammonium Sulfate and 10% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |