1Q51
Crystal Structure of Mycobacterium tuberculosis MenB in Complex with Acetoacetyl-Coenzyme A, a Key Enzyme in Vitamin K2 Biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.401, 139.389, 142.041 |
Unit cell angles | 90.00, 97.31, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.20369 |
Rwork | 0.202 |
R-free | 0.24300 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dub |
RMSD bond length | 0.015 |
RMSD bond angle | 1.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.300 | |
Rmerge | 0.116 * | 0.551 * |
Total number of observations | 503676 * | |
Number of reflections | 146353 | |
Completeness [%] | 99.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | dioxane, ammonium sulfate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | dioxane | 0.5-2 (%) | |
2 | 1 | reservoir | ammonium sulfate | 1.2-1.3 (M) | |
3 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |