4OO9

Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	200
Detector technology	PIXEL
Collection date	2013-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96861
Spacegroup name	C 1 2 1
Unit cell lengths	143.242, 43.555, 82.049
Unit cell angles	90.00, 99.37, 90.00

Refinement procedure

Resolution	29.740 - 2.600
R-factor	0.2409
Rwork	0.239
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3EML 3uon 4daj 4dkl 4djh 3v2y 4ea3 AND 1U19
RMSD bond length	0.003
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.955	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.116	0.754
Number of reflections	14800
<I/σ(I)>	7.4	1.8
Completeness [%]	94.9	94.8
Redundancy	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.8	293.1	24-34% v/v PEG400, 0.2 M ammonium phosphate dibasic, 0.1 M MES, pH 6.8, LIPIDIC CUBIC PHASE, temperature 293.1K