5CBS

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A 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	2011-06-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	61.468, 92.202, 197.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.345 - 1.801
R-factor	0.1695
Rwork	0.167
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n0t
RMSD bond length	0.006
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	197.476	29.547	1.900
High resolution limit [Å]	1.801	5.690	1.800
Rmerge		0.029	0.265
Rmeas	0.084
Rpim	0.039	0.015	0.198
Total number of observations	425624	16084	30238
Number of reflections	96675
<I/σ(I)>	14.8	29.9	2.7
Completeness [%]	92.5	98.9	90.6
Redundancy	4.4	4.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	PEG2000, lithium sulfate and phosphate-citrate buffer pH 4.5