6LFL

Crystal structure of a class A 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)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	41.300, 108.460, 82.600
Unit cell angles	90.00, 91.16, 90.00

Refinement procedure

Resolution	45.330 - 3.200
R-factor	0.233
Rwork	0.231
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lwe
RMSD bond length	0.008
RMSD bond angle	1.000
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]	45.330	45.330	3.390
High resolution limit [Å]	3.200	9.600	3.200
Rmerge		0.078	0.599
Rmeas		0.081	0.644
Number of reflections	12047	468	1884
<I/σ(I)>	10.06	35.43	1.4
Completeness [%]	99.8	99.4	99.5
Redundancy	10.78	14.224	7.034
CC(1/2)	0.996	0.996	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100mM HEPES pH7.0, 32% PEG 400, 50-150 mM Sodium tartrate dibasic dihydrate salt