5FHO

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 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	2013-12-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	70.983, 109.982, 144.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.046 - 2.300
R-factor	0.1747
Rwork	0.173
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2P2A (molB)
RMSD bond length	0.002
RMSD bond angle	0.540
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]	48.070	45.956	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.019	0.331
Rmeas	0.077
Rpim	0.038	0.011	0.184
Total number of observations	208313	6560	30004
Number of reflections	50972
<I/σ(I)>	14.6	25.4	5
Completeness [%]	100.0	99.6	100
Redundancy	4.1	3.7	4.1

Crystallization Conditions

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