4V2K
Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-20 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.280, 70.420, 57.910 |
| Unit cell angles | 90.00, 129.34, 90.00 |
Refinement procedure
| Resolution | 44.520 - 1.290 |
| R-factor | 0.14325 |
| Rwork | 0.143 |
| R-free | 0.15528 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1H32 AND 2ZOO |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.411 |
| Data reduction software | XDS (THROUGH XIA2) |
| Data scaling software | Aimless (THROUGH XIA2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.520 | 1.320 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.030 | 0.480 |
| Number of reflections | 60432 | |
| <I/σ(I)> | 15.5 | 2.3 |
| Completeness [%] | 97.8 | 98 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 10 MM AMMONIUM ACETATE, 7.5% PEG 10K PH 4.6 |
