1DQY
CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 128.800, 67.808, 39.765 |
Unit cell angles | 90.00, 102.73, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.830 |
R-factor | 0.165 * |
Rwork | 0.168 |
R-free | 0.18800 * |
RMSD bond length | 0.050 * |
RMSD bond angle | 1.250 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | |
High resolution limit [Å] | 1.830 * | |
Rmerge | 0.052 * | 0.226 * |
Total number of observations | 27884 * | |
Number of reflections | 128115 * | |
Completeness [%] | 94.4 * | 80.3 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.6 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium citrate | 100 (mM) | |
2 | 1 | reservoir | 0.7 (M) | ||
3 | 1 | drop | pHMPS | 1 (mM) |