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 |