1LU4
1.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF A SECRETED MYCOBACTERIUM TUBERCULOSIS DISULFIDE OXIDOREDUCTASE HOMOLOGOUS TO E. COLI DSBE: IMPLICATIONS FOR FUNCTIONS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.640, 60.640, 79.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.100* |
| R-factor | 0.1526 |
| Rwork | 0.152 |
| R-free | 0.20300 * |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 1.713 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.990 | 1.190 |
| High resolution limit [Å] | 1.500 * | 1.120 |
| Rmerge | 0.088 * | 0.457 * |
| Total number of observations | 285221 * | |
| Number of reflections | 45334 * | |
| <I/σ(I)> | 6.8 | 11.4 |
| Completeness [%] | 99.9 * | 100 |
| Redundancy | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.4 | 300 | 2.2M ammonium sulfate, 5% isopropanol, 20% glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 0.5 (M) | ||
| 2 | 1 | drop | Tris-HCl | 0.1 (M) | pH7.4 |
| 3 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
| 4 | 1 | reservoir | isopropyl alcohol | 5 (%) | |
| 5 | 1 | reservoir | glycerol | 20 (%) |
