3HWI
Crystal structure of probable thiosulfate sulfurtransferase Cysa2 (Rhodanese-like protein) from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-05 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.446, 69.622, 83.110 |
| Unit cell angles | 90.00, 108.14, 90.00 |
Refinement procedure
| Resolution | 28.880 - 2.290 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uar |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.428 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.106 | 0.188 |
| Number of reflections | 24551 | |
| <I/σ(I)> | 17.208 | 7.9 |
| Completeness [%] | 92.4 | 99.8 |
| Redundancy | 6.3 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JCSG+ sparse matrix screen condition h10, 25% PEG 3350, 0.1 M BisTris pH 5.5, 0.2 M ammonium acetate, 37.4 mg/mL protein, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
