8YBB
Crystal structure of the sigma-1 receptor from Xenopus laevis with side opening
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.901, 146.848, 145.804 |
| Unit cell angles | 90.00, 107.01, 90.00 |
Refinement procedure
| Resolution | 44.815 - 3.120 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| 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] | 46.476 | 3.048 |
| High resolution limit [Å] | 2.808 | 2.808 |
| Rmerge | 0.109 | 1.262 |
| Rmeas | 0.120 | 1.413 |
| Rpim | 0.051 | 0.628 |
| Total number of observations | 179405 | 8064 |
| Number of reflections | 32257 | 1613 |
| <I/σ(I)> | 10.3 | 1.5 |
| Completeness [%] | 75.6 | |
| Redundancy | 5.6 | 5 |
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 |
