4G8N

Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist G8M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 41 2 2
Unit cell lengths	67.821, 67.821, 122.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.689 - 2.300
R-factor	0.1732
Rwork	0.170
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s9e
RMSD bond length	0.010
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.821	29.689	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.026	0.378
Total number of observations		3301	15509
Number of reflections	13403
<I/σ(I)>	9.3	21.6	2
Completeness [%]	100.0	98.6	100
Redundancy	7.9	6.6	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	2.2M sodium/potassium phosphate. Crystals were grown in the presence of glutamate and soaked with new ligand G8M, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K