8WKZ
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31
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 | 167.460, 44.940, 89.570 |
Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
Resolution | 44.390 - 3.300 |
R-factor | 0.2159 |
Rwork | 0.213 |
R-free | 0.27180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.412 |
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] | 44.460 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.583 | 3.305 |
Rmeas | 3.409 | |
Rpim | 0.825 | |
Number of reflections | 10306 | 1029 |
<I/σ(I)> | 7.5 | 1.2 |
Completeness [%] | 100.0 | |
Redundancy | 16.46 | |
CC(1/2) | 0.982 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | PEG 400, Bis-tris propane buffer, CaCl2-2H2O |