8AGF
Crystal structure of human Thiosulfate sulfurtransferase amino acids 2-297
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 291 |
| Detector technology | PIXEL |
| Collection date | 2022-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033200 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 41.930, 48.543, 152.501 |
| Unit cell angles | 90.00, 96.37, 90.00 |
Refinement procedure
| Resolution | 46.272 - 3.400 |
| Rwork | 0.196 |
| R-free | 0.27810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1boh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.576 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.272 | 46.230 |
| High resolution limit [Å] | 3.400 | 9.000 |
| Rmerge | 0.599 | 0.118 |
| Rmeas | 0.705 | 0.138 |
| Rpim | 0.368 | 0.071 |
| Number of reflections | 4269 | 4269 |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 98.9 | |
| Redundancy | 6.8 | 6.4 |
| CC(1/2) | 0.878 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291.15 | PEG 6000, Tris, calcium chloride dihydrate |
