5KZQ

Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-17
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	166.297, 166.297, 79.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.800 - 2.800
R-factor	0.2099
Rwork	0.208
R-free	0.24470
RMSD bond length	0.010
RMSD bond angle	1.210
Data reduction software	d*TREK
Data scaling software	SCALA (3.3.20)
Refinement software	BUSTER-TNT (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.330	47.330	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.040	0.733
Rmeas	0.142	0.042	0.871
Rpim	0.042	0.012	0.334
Total number of observations	258358	9521	16615
Number of reflections	25675
<I/σ(I)>	10	46.8	1.6
Completeness [%]	91.7	92.7	65.7
Redundancy	10.1	10.8	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	18% PEG 20,000, 100 mM L-proline