5TVN

Crystal structure of the LSD-bound 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	CCD
Collection date	2015-10-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	59.195, 119.177, 170.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.164 - 2.900
R-factor	0.2125
Rwork	0.210
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ib4
RMSD bond length	0.003
RMSD bond angle	0.848
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.000
High resolution limit [Å]	2.900	6.230	2.900
Rmerge	0.149	0.077	0.783
Rmeas	0.174
Rpim	0.087
Total number of observations	42654
Number of reflections	12422
<I/σ(I)>	8.1
Completeness [%]	90.4	83.6	92.2
Redundancy	3.4	3.4	3.4
CC(1/2)		0.990	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM Tris/HCl pH 7.5-8.0, 90-130 mM potassium phosphate monobasic, 28-30% PEG400