8W4E
Crystal structure of the sigma-1 receptor from Xenopus laevis in the absence of known ligands (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 | 2023-04-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.697, 145.688, 145.886 |
| Unit cell angles | 90.00, 107.43, 90.00 |
Refinement procedure
| Resolution | 45.141 - 2.805 |
| R-factor | 0.2443 |
| Rwork | 0.243 |
| R-free | 0.26810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.428 |
| Data reduction software | XDS (BUILT 20220820) |
| 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] | 45.141 | 2.678 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.074 | 1.124 |
| Rmeas | 0.081 | 1.217 |
| Rpim | 0.031 | 0.462 |
| Total number of observations | 297941 | 15150 |
| Number of reflections | 44588 | 2230 |
| <I/σ(I)> | 13.5 | 1.3 |
| Completeness [%] | 72.2 | |
| Redundancy | 6.7 | 6.8 |
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 |
