3O8H
EthR from Mycobacterium tuberculosis in complex with compound BDM14950
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.300, 121.300, 33.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.700 - 1.900 |
| R-factor | 0.19662 |
| Rwork | 0.194 |
| R-free | 0.25072 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.426 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.700 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 20632 | |
| Completeness [%] | 97.8 | 96.3 |
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 293K |
