1NNK

X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.85 A resolution. Crystallization with zinc ions.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-14
Detector	MARRESEARCH
Wavelength(s)	1.08350
Spacegroup name	P 21 21 2
Unit cell lengths	54.258, 111.229, 46.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.850
Rwork	0.207
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GluR2:(S)-thio-ATPA complex (Lunn et al. to be published).
RMSD bond length	0.009
RMSD bond angle	21.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.099	0.340
Number of reflections	23016
<I/σ(I)>	7	2
Completeness [%]	92.6	82.1
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	6 *	zinc acetate, cacodylate, PEG8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	GluR2-S1S2J	1.4 (mg/ml)
3	1	reservoir	zinc acetate	0.1 (M)
4	1	reservoir	cacodylate	0.1 (M)	pH5.5
5	1	reservoir	PEG8000	20 (%)