4LZ7

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 MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	114.380, 164.344, 47.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.1978
Rwork	0.196
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lbc
RMSD bond length	0.018
RMSD bond angle	1.647
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]	30.000	30.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.142	0.055	0.719
Number of reflections	53393
<I/σ(I)>	6.3
Completeness [%]	100.0	99.7	100
Redundancy	7.2	6.9	7.1

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