5FHN

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 1.6 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	2013-11-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.919490
Spacegroup name	C 1 2 1
Unit cell lengths	137.110, 46.380, 46.030
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	27.994 - 1.600
R-factor	0.1573
Rwork	0.156
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p2a
RMSD bond length	0.009
RMSD bond angle	1.009
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.994	27.994	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.033	0.373
Rmeas	0.077
Rpim	0.041	0.022	0.231
Total number of observations	135601	4214	19559
Number of reflections	38281
<I/σ(I)>	10.7	19.6	3.4
Completeness [%]	99.9	98.7	99.6
Redundancy	3.5	3.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	18% PEG4000 0.1 M ammonium sulfate 0.1 M phosphate-citrate buffer pH 4.5