7UM4

Crystal structure of inactive 5-HT5AR in complex with AS2674723

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-08-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 2
Unit cell lengths	135.289, 42.460, 94.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.730 - 2.800
R-factor	0.2311
Rwork	0.229
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s0v 4iar
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.307	0.205	1.024
Rmeas	0.332	0.221	1.185
Rpim	0.122	0.079	0.581
Number of reflections	13732	1488	1285
<I/σ(I)>	5.8
Completeness [%]	99.2	98	97.2
Redundancy	6.6	7.4	3.6
CC(1/2)		0.960	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M Sodium chloride, 0.1 M Lithium sulfate, 0.1 M DL-Malic acid pH 5.9, 30 % v/v PEG 400