1LBC

Crystal structure of GluR2 ligand binding core (S1S2J-N775S) in complex with cyclothiazide (CTZ) as well as glutamate at 1.8 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	110
Detector technology	CCD
Collection date	2001-05-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9196
Spacegroup name	P 21 21 2
Unit cell lengths	114.859, 162.571, 47.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.800
R-factor	0.222 *
Rwork	0.222
R-free	0.24300 *
Structure solution method	rigid body refinement
Starting model (for MR)	1ftj
RMSD bond length	0.006
RMSD bond angle	1.330
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.050 *	0.346 *
Number of reflections	81971
Completeness [%]	99.6	98.8
Redundancy	4.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	pEG 8000 Zn(oAc)2, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	PEG8000	13-18 (%)
3	1	reservoir		0.1-0.25 (M)
4	1	reservoir	cacodylate	0.1 (M)	pH6.5