3AAY
Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from Mycobacterium tuberculosis: orthorhombic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976067 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.431, 84.141, 102.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.900 |
| R-factor | 0.19027 |
| Rwork | 0.189 |
| R-free | 0.24187 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uar |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.143 | 0.616 |
| Number of reflections | 47968 | |
| <I/σ(I)> | 14 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Protein Concentration 8 mg/ml in Tris Buffer pH 7.5, Precipitant 0.1M Bis-Tris at pH 5.5, 3% MPD, 5mM sodium thiosulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
