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 |