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 |