8WKY
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25
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 | 2020-02-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.920, 44.900, 89.810 |
| Unit cell angles | 90.00, 97.74, 90.00 |
Refinement procedure
| Resolution | 44.500 - 2.900 |
| R-factor | 0.2231 |
| Rwork | 0.221 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.443 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.550 | 3.000 |
| High resolution limit [Å] | 2.800 | 2.900 |
| Rmerge | 0.341 | 2.638 |
| Number of reflections | 16629 | 1485 |
| <I/σ(I)> | 7.6 | 1.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 11.14 | 11.4 |
| CC(1/2) | 0.988 | 0.470 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | PEG 400, Bis-tris propane buffer, CaCl2-2H2O |
