3H6T

Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	96.5
Detector technology	CCD
Collection date	2005-12-14
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 2
Unit cell lengths	114.486, 163.136, 47.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.840 - 2.250
R-factor	0.182
Rwork	0.182
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftj
RMSD bond length	0.006
RMSD bond angle	1.330
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (1.3.3)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.840	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.084	0.346
Number of reflections	42613
<I/σ(I)>	7.8	1.9
Completeness [%]	99.3	100
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	279	25 % PEG 4000, 0.3 M Zinc acetate, 0.1 M Cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K