8WWB
The sigma-1 receptor from Xenopus laevis in complex with dehydroepiandrosterone sulfate by soaking (I432 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 | 2023-10-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 160.706, 160.706, 160.706 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.879 - 2.503 |
R-factor | 0.2194 |
Rwork | 0.218 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.487 |
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] | 42.950 | 2.545 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.101 | 1.506 |
Rmeas | 0.106 | 1.584 |
Rpim | 0.033 | 0.487 |
Total number of observations | 122155 | 6384 |
Number of reflections | 12557 | 620 |
<I/σ(I)> | 16.6 | 1.6 |
Completeness [%] | 99.7 | |
Redundancy | 9.7 | 10.3 |
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 DHEAS soaking |