3S2V

Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution

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	2009-10-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	61.459, 93.353, 107.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.779 - 2.500
R-factor	0.1817
Rwork	0.178
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f34
RMSD bond length	0.008
RMSD bond angle	1.241
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.094	0.240
Number of reflections	21923
<I/σ(I)>	5.6	1.8
Completeness [%]	99.8	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	24.4% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K