4LZ8

Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	113.676, 164.953, 47.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.659 - 1.850
R-factor	0.1982
Rwork	0.196
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lbc
RMSD bond length	0.023
RMSD bond angle	1.861
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.659	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.060	0.030
Number of reflections	74948
<I/σ(I)>	15.3
Completeness [%]	96.9	99.7	94.3
Redundancy	6.4	6.8	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1 uL 7 mg/mL protein in 10 mM (S)-Glu, 10 mM HEPES, pH 7.5, 20 mM sodium chloride, 1 mM EDTA, 150 uM ligand (from 30 mM DMSO stock) + 1 uL reservoir (10% PEG8000, 0.1 M zinc acetate, 0.1 M sodium acetate, pH 5.5), crystals appeared in 3-5 days, VAPOR DIFFUSION, HANGING DROP, temperature 277K