6E5V

human mGlu8 receptor amino terminal domain in complex with (S)-3,4-Dicarboxyphenylglycine (DCPG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2012-07-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	82.945, 106.780, 117.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.820 - 2.950
R-factor	0.2576
Rwork	0.255
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bsz
RMSD bond length	0.007
RMSD bond angle	1.097
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.910	3.110
High resolution limit [Å]	2.950	2.950
Number of reflections	21256
<I/σ(I)>	9.5	1.5
Completeness [%]	99.3	98.4
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	100mM Bis-Tris, pH 6.5, 27% PEG 3350, 200mM Sodium Acetate