4N07

Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-344 at 1.87 A 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)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	113.904, 164.034, 47.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.476 - 1.870
R-factor	0.177
Rwork	0.175
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lb8
RMSD bond length	0.007
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.476	28.476	1.970
High resolution limit [Å]	1.870	5.910	1.870
Rmerge	0.057	0.030	0.385
Total number of observations		9383	43796
Number of reflections	74220
<I/σ(I)>	15.2	20.6	2
Completeness [%]	99.9	97.2	100
Redundancy	4.1	3.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	16.5% PEG4000, 0.15 M zinc acetate, 0.1 M cacodylate, VAPOR DIFFUSION, HANGING DROP, temperature 277K