6F29

Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A

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	2011-06-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 41 2 2
Unit cell lengths	68.040, 68.040, 126.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.915 - 2.600
R-factor	0.1947
Rwork	0.192
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mh5
RMSD bond length	0.007
RMSD bond angle	0.922
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.915	35.915	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge		0.044	0.433
Rmeas	0.116	0.047	0.463
Rpim	0.041	0.017	0.160
Number of reflections	9697	363	1383
<I/σ(I)>	13.5	11.6	1.8
Completeness [%]	99.8	97.9	100
Redundancy	7.7	6.4	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	279	1.8M sodium/potassium phosphate pH 8.2