8WUE
The sigma-1 receptor from Xenopus laevis in complex with dehydroepiandrosterone sulfate by soaking (C2 form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.551, 144.665, 137.544 |
| Unit cell angles | 90.00, 104.20, 90.00 |
Refinement procedure
| Resolution | 41.734 - 3.089 |
| R-factor | 0.215 |
| Rwork | 0.214 |
| R-free | 0.23970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.626 |
| Data reduction software | XDS (BUILT 20230630) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.023 | 2.979 |
| High resolution limit [Å] | 2.899 | 2.899 |
| Rmerge | 0.111 | 1.570 |
| Rmeas | 0.121 | 1.724 |
| Rpim | 0.049 | 0.706 |
| Total number of observations | 206427 | 9918 |
| Number of reflections | 34345 | 1717 |
| <I/σ(I)> | 13.2 | 1.1 |
| Completeness [%] | 90.2 | |
| Redundancy | 6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.32M LiCl, 0.1M Na+-citrate pH 5.5, 12% PEG 4000, 10% glycerol, 15mM Na+-cholate, 1mM DHEAS soaking |
