8W4B
The sigma-1 receptor from Xenopus laevis in complex with progesterone by co-crystallization
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 | 2023-07-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 161.196, 161.196, 161.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.904 - 2.152 |
| R-factor | 0.1993 |
| Rwork | 0.198 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.784 |
| 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] | 43.081 | 2.148 |
| High resolution limit [Å] | 2.105 | 2.105 |
| Rmerge | 0.126 | 2.747 |
| Rmeas | 0.129 | 2.825 |
| Rpim | 0.027 | 0.656 |
| Total number of observations | 460385 | 17995 |
| Number of reflections | 20044 | 980 |
| <I/σ(I)> | 14.6 | 1.1 |
| Completeness [%] | 95.5 | |
| Redundancy | 23 | 18.4 |
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 |
