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