7P2L

thermostabilised 7TM domain of human mGlu5 receptor bound to photoswitchable ligand alloswitch-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	141.690, 43.400, 82.120
Unit cell angles	90.00, 99.38, 90.00

Refinement procedure

Resolution	49.110 - 2.540
R-factor	0.2298
Rwork	0.227
R-free	0.28530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oo9
RMSD bond length	0.004
RMSD bond angle	1.306
Data reduction software	XDS (VERSION Jan 31, 2020 BUILT=20200417)
Data scaling software	XSCALE (VERSION Jan 31, 2020 BUILT=20200417)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.610
High resolution limit [Å]	2.540	2.540
Rmeas	0.253	2.685
Number of reflections	16595	1184
<I/σ(I)>	6.35
Completeness [%]	100.0	99
Redundancy	10.66	9.3
CC(1/2)	0.997	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		295	0.15-0.25 M ammonium phosphate dibasic, 22-24 % polyethylene glycol 400, either with 0.10 M 2-(N-morpholino)ethanesulfonic acid (MES) pH 6.7-6.8 or 0.1 M HEPES pH 6.8