4M5E
Tse3 structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9790 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.995, 70.128, 41.940 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 37.600 - 1.490 |
| R-factor | 0.1812 |
| Rwork | 0.181 |
| R-free | 0.19860 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.061 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.600 | 1.540 |
| High resolution limit [Å] | 1.490 | 1.500 |
| Number of reflections | 77219 | |
| Completeness [%] | 80.0 | 95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5 | 293 | 0.05M CaCl2, 0.05M NiCl2, 0.05M CdCl2, 15% PEG3350, pH 5.0, EVAPORATION, temperature 293K |
