5CBR

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(3,4-dichloro-5-(5-hydroxypyridin-3-yl)phenyl)propanoic acid at 2.0A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 2
Unit cell lengths	60.130, 95.780, 49.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.180 - 1.996
R-factor	0.1883
Rwork	0.186
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n0t
RMSD bond length	0.007
RMSD bond angle	1.054
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.759	38.180	2.100
High resolution limit [Å]	1.996	6.310	1.990
Rmerge		0.040	0.336
Rmeas	0.098
Rpim	0.053	0.027	0.219
Total number of observations	64202	2063	8935
Number of reflections	19935
<I/σ(I)>	10.5	30.2	3.3
Completeness [%]	99.3	97.8	97.7
Redundancy	3.2	2.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	PEG4000, lithium sulfate and phosphate-citrate buffer pH 4.5