3G1M
EthR from Mycobacterium tuberculosis in complex with compound BDM31381
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 | 121.870, 121.870, 33.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 1.700 |
R-factor | 0.18318 |
Rwork | 0.182 |
R-free | 0.21269 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.370 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 5.000 | 1.739 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 25928 | |
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 |