6KPC

Crystal structure of an agonist bound GPCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	33.960, 140.220, 156.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.780 - 3.200
R-factor	0.231
Rwork	0.230
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zty
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.780	44.780	3.280
High resolution limit [Å]	3.200	14.310	3.200
Rmerge	0.171	0.074	0.673
Rmeas	0.200	0.086	0.789
Total number of observations	32673
Number of reflections	11476	134	853
<I/σ(I)>	4.26	9.88	1.22
Completeness [%]	87.6	71.3	90.4
Redundancy	2.847	2.978	2.796
CC(1/2)	0.986	0.995	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM HEPES sodium pH 7.0, 25% PEG 400, 220 mM Sodium sulfate decahydrate