7WC6

Crystal structure of serotonin 2A receptor in complex with LSD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 2 21
Unit cell lengths	49.580, 54.450, 178.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 2.600
R-factor	0.242
Rwork	0.241
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a93
RMSD bond length	0.009
RMSD bond angle	1.495
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.780	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	15628	1860
<I/σ(I)>	8.5	0.9
Completeness [%]	100.0	100
Redundancy	15.2	12.1
CC(1/2)	0.994	0.338

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	100 mM Tris-HCl, 40 mM Potassium formate, 30% (v/v) PEG400, 2% (v/v) Polypropylene glycol P 400