6WGT

Crystal structure of HTR2A with hallucinogenic agonist

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]	80
Detector technology	PIXEL
Collection date	2018-03-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	81.640, 175.260, 280.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.540 - 3.400
R-factor	0.2669
Rwork	0.265
R-free	0.30540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tvn
RMSD bond length	0.013
RMSD bond angle	1.494
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.540	3.630
High resolution limit [Å]	3.400	3.400
Number of reflections	26609	3887
<I/σ(I)>	5.5
Completeness [%]	94.7	77.9
Redundancy	5.6
CC(1/2)	0.970	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293.15	100 mM Tris (pH7.0) 370-410 mM KPO4-mono 90-120 mM GuHCl 28-34% PEG 400