3AAX
Crystal structure of probable thiosulfate sulfurtransferase cysa3 (RV3117) from Mycobacterium tuberculosis: monoclinic FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.862, 91.428, 83.569 |
| Unit cell angles | 90.00, 96.58, 90.00 |
Refinement procedure
| Resolution | 41.510 - 2.500 |
| R-factor | 0.23696 |
| Rwork | 0.234 |
| R-free | 0.29123 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uar |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| 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] | 45.700 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.104 | 0.546 |
| Number of reflections | 20078 | |
| <I/σ(I)> | 11.8 | 2.1 |
| Completeness [%] | 98.8 | 98 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Protein concentration 8mg/ml, 0.1M Tris HCl pH 8.5, Precipitant 0.2M MgCl2, 25% PEG 3350., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
