4K6X
Crystal structure of disulfide oxidoreductase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Detector technology | CCD |
Collection date | 2012-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 92.050, 92.050, 232.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.324 - 1.972 |
R-factor | 0.1507 |
Rwork | 0.148 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.600 | 85.600 | 2.080 |
High resolution limit [Å] | 1.970 | 6.230 | 1.970 |
Rmerge | 0.096 | 0.041 | 0.656 |
Number of reflections | 35185 | ||
<I/σ(I)> | 14.9 | 35.2 | 3.3 |
Completeness [%] | 98.9 | 96.3 | 99.3 |
Redundancy | 8.1 | 7.8 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Na Malonate, 1,4-dioxane and polyvinylpyrrolidone, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |