8WWB
The sigma-1 receptor from Xenopus laevis in complex with dehydroepiandrosterone sulfate by soaking (I432 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 | 2023-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 160.706, 160.706, 160.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.879 - 2.503 |
| R-factor | 0.2194 |
| Rwork | 0.218 |
| R-free | 0.25390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.487 |
| 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] | 42.950 | 2.545 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.101 | 1.506 |
| Rmeas | 0.106 | 1.584 |
| Rpim | 0.033 | 0.487 |
| Total number of observations | 122155 | 6384 |
| Number of reflections | 12557 | 620 |
| <I/σ(I)> | 16.6 | 1.6 |
| Completeness [%] | 99.7 | |
| Redundancy | 9.7 | 10.3 |
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 |
