5FHM

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 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	2014-05-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	62.510, 94.056, 96.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.028 - 1.550
R-factor	0.1381
Rwork	0.137
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2P2A (molB)
RMSD bond length	0.009
RMSD bond angle	1.022
Data reduction software	XDS
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]	48.060	48.056	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.025	0.407
Rmeas	0.061
Rpim	0.021	0.010	0.151
Total number of observations	678969	21590	97380
Number of reflections	82889
<I/σ(I)>	23.1	53.1	5.2
Completeness [%]	100.0	99.5	100
Redundancy	8.2	7.6	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	280	PEG4000 lithium sulfate sodium acetate buffer pH 5.5