3LMK

Ligand Binding Domain of Metabotropoc glutamate receptor mGluR5 complexed with glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-01-12
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	71.875, 98.346, 155.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.080 - 2.440
R-factor	0.23422
Rwork	0.232
R-free	0.28120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.123
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.080	2.502
High resolution limit [Å]	2.440	2.440
Number of reflections	41601
<I/σ(I)>	22.3	1.9
Completeness [%]	99.8	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 8000, 0.2M NaCl, 0.1M Hepes. protein concentration 5mg/mL plus 5mM L-Glu. Cryoprotectant used: 33% PEG 8000, 0.2M NaCl and 0.1M Hepes plus 20% Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K