6N4X

Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain

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]	78
Detector technology	PIXEL
Collection date	2014-06-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 2 2 21
Unit cell lengths	119.084, 174.100, 180.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.569 - 4.000
R-factor	0.2706
Rwork	0.270
R-free	0.28210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n4y
Data reduction software	XDS
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.570	49.570	4.220
High resolution limit [Å]	4.000	12.650	4.000
Rmerge	0.140	0.054	1.671
Rmeas	0.151	0.057	1.808
Rpim	0.054	0.020	0.667
Number of reflections	30328	997	4390
<I/σ(I)>	11.2
Completeness [%]	94.0	89.1	94.2
Redundancy	6.9	6.4	6.7
CC(1/2)	0.998	0.998	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	15% PEG 3350, 0.2M Na Cacodylate pH 6.5