4LZ5

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	114.751, 164.541, 47.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.070 - 1.500
R-factor	0.1708
Rwork	0.169
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lbc
RMSD bond length	0.035
RMSD bond angle	2.676
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.072	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.071	0.055	0.305
Number of reflections	141715
<I/σ(I)>	14.7
Completeness [%]	98.3	97.4	87.8
Redundancy	6.1	5.9	3.1

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