2PBW

Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex with the Partial agonist Domoic Acid at 2.5 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-30
Detector	MAR scanner 345 mm plate
Spacegroup name	P 41 21 2
Unit cell lengths	70.863, 70.863, 233.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.590 - 2.500
R-factor	0.209
Rwork	0.209
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fwo CHAIN A
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	20832
<I/σ(I)>	12.7	3.4
Completeness [%]	96.8	96.8
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	279	PEG4000, Lithium sulfate, Cacodylate, VAPOR DIFFUSION, HANGING DROP, temperature 279K, pH 6.50