8W4C
The sigma-1 receptor from Xenopus laevis in complex with progesterone by soaking
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 | 2023-06-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 161.226, 161.226, 161.226 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.001 - 2.676 |
| R-factor | 0.2184 |
| Rwork | 0.217 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.736 |
| 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] | 38.001 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.159 | 1.583 |
| Rmeas | 0.173 | 1.713 |
| Rpim | 0.066 | 0.646 |
| Total number of observations | 74720 | 3757 |
| Number of reflections | 11200 | 549 |
| <I/σ(I)> | 8.2 | 1.2 |
| Completeness [%] | 99.0 | |
| 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, 1mM progesterone soaking |
