6YK3

Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.20A

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]	100.5
Detector technology	CCD
Collection date	2013-05-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	59.351, 96.826, 48.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.541 - 1.200
R-factor	0.1121
Rwork	0.111
R-free	0.14040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1syh
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.318	25.301	1.260
High resolution limit [Å]	1.200	3.790	1.200
Rmerge		0.037	0.402
Rmeas	0.079	0.042	0.456
Rpim	0.035	0.019	0.210
Total number of observations	421917	13477	58275
Number of reflections	88027	2921	12709
<I/σ(I)>	12.8	30.5	3.8
Completeness [%]	99.9	97	100
Redundancy	4.8	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	20% PEG4000, 0.3M ammonium sulfate, 0.1M acetate