8S4D
Crystal structure of a peptidergic GPCR in complex with a small synthetic G protein-biased agonist
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.823, 153.948, 111.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.970 - 2.584 |
| R-factor | 0.2344 |
| Rwork | 0.232 |
| R-free | 0.27540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.970 | 2.929 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rpim | 0.145 | |
| Number of reflections | 9698 | 223 |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 90.1 | |
| Redundancy | 14.8 | |
| CC(1/2) | 0.923 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 4.75 | 293 | 25 to 35 % polyethylene glycol (PEG) 400, 100 mM sodium citrate, pH 4.75, and 150 mM of ammonium phosphate or ammonium acetate |
