3TZA

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 1.9A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	99
Detector technology	CCD
Collection date	2007-02-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9310
Spacegroup name	P 1 21 1
Unit cell lengths	48.722, 61.835, 92.921
Unit cell angles	90.00, 94.09, 90.00

Refinement procedure

Resolution	38.209 - 1.900
R-factor	0.1745
Rwork	0.172
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n0t
RMSD bond length	0.005
RMSD bond angle	0.949
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.848	46.324	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.057	0.039	0.253
Rmeas		0.047	0.298
Rpim		0.026	0.157
Total number of observations		4753	17303
Number of reflections	41312
<I/σ(I)>	17	35.1	3.9
Completeness [%]	94.9	96.4	78.6
Redundancy	3.7	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	15.2% PEG4000, 0.1M ammonium sulfate, 0.1M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K