6DRX

Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	59.380, 118.550, 168.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.257 - 3.100
R-factor	0.2453
Rwork	0.243
R-free	0.28590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 4IB4
RMSD bond length	0.002
RMSD bond angle	0.761
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.170
High resolution limit [Å]	3.100	3.100
Rmerge	0.122	0.950
Number of reflections	10701	699
<I/σ(I)>	10.9	1.1
Completeness [%]	97.1	97.1
Redundancy	4.4	4.3
CC(1/2)	0.996	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM Tris/HCl pH 7.4-7.7, 30-50 mM Ammonium tartrate dibasic, 30% v/v PEG400