6W25
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.910, 44.490, 88.050 |
| Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
| Resolution | 43.650 - 2.750 |
| R-factor | 0.234 |
| Rwork | 0.233 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3EML |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.650 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.234 | 3.302 |
| Number of reflections | 16761 | 847 |
| <I/σ(I)> | 11.62 | 0.96 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15 | |
| CC(1/2) | 0.997 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7.9 | 293 | 19% PEG 400, 100 mM Bis-tris propane buffer, and 50 mM CaCl2 2H2O |
