3H6W

Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5217 at 1.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.8080
Spacegroup name	P 1 2 1
Unit cell lengths	47.010, 47.179, 118.412
Unit cell angles	90.00, 91.88, 90.00

Refinement procedure

Resolution	17.380 - 1.490
Rwork	0.189
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftj
RMSD bond length	0.011
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.380	1.550
High resolution limit [Å]	1.490	1.490
Rmerge	0.041	0.405
Number of reflections	72325
<I/σ(I)>	25.2	2.6
Completeness [%]	85.6	95.4
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	279	20 % PEG 4000, 0.1 M Ammonium sulfate, 0.1 M Cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K