8PYV
Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-08-08 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.7552 |
| Spacegroup name | H 3 |
| Unit cell lengths | 77.200, 77.200, 122.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.640 - 1.770 |
| R-factor | 0.2127 |
| Rwork | 0.198 |
| R-free | 0.21380 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.139 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.640 | 1.836 |
| High resolution limit [Å] | 1.770 | 1.772 |
| Number of reflections | 26090 | 2383 |
| <I/σ(I)> | 21.23 | |
| Completeness [%] | 97.5 | |
| Redundancy | 17.5 | |
| CC(1/2) | 0.999 | 0.210 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Tris pH 8 , % PEG400, 100 mM NaCl and 1mM TCEP |
