1SD3

Crystal structure of the GLUR6 ligand binding core in complex with 2S,4R-4-methylglutamate at 1.8 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97178
Spacegroup name	P 21 21 21
Unit cell lengths	57.742, 91.254, 105.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.410 - 1.800
R-factor	0.223
Rwork	0.223
R-free	0.25600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1s7y
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	0.358
Number of reflections	50668
<I/σ(I)>	12.6	3.86
Completeness [%]	99.9	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	293	14% PEG 3350, 10mM malonate, 10mM BME, 20mM NaCl, 2mM Citrate, 1mM EDTA, 4.5mM 2S,4R-4-methylglutamate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K