3HZU
Crystal structure of probable thiosulfate sulfurtransferase SSEA (rhodanese) from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.730, 88.327, 36.794 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.810 - 2.100 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uar |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.081 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.084 | 0.387 |
| Number of reflections | 18019 | |
| <I/σ(I)> | 16.649 | 2.7 |
| Completeness [%] | 99.5 | 95.1 |
| Redundancy | 6.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 2.4 M ammonium sulfate, 0.1 M BisTris pH 6.5, 36.6 mg/mL protein, crystal ID 203314g9, 15% glycerol as cryo-protectant, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
