6LI0

Crystal structure of GPR52 in complex with agonist c17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	59.970, 88.360, 156.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.890 - 2.200
R-factor	0.19499
Rwork	0.194
R-free	0.21982
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Rosetta modelling
RMSD bond length	0.011
RMSD bond angle	1.662
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.177	2.885
Rpim	0.034	0.034
Number of reflections	42939	4164
<I/σ(I)>	18.3	0.98
Completeness [%]	99.0	99.3
Redundancy	26.5	17.5
CC(1/2)	0.443	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	293	0.13-0.18 M sodium acetate, 0.1 M sodium citrate PH5.0, 32-35% PEG400