5OEW

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538

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	2013-05-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	114.702, 164.374, 47.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.521 - 2.000
R-factor	0.1684
Rwork	0.167
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tdj
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.10)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.270	28.521	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.045	0.313
Rmeas	0.099	0.051	0.359
Rpim	0.046	0.024	0.172
Total number of observations	253105
Number of reflections	61361
<I/σ(I)>	10.3	13.2	2
Completeness [%]	99.8	97.2	100
Redundancy	4.1	3.9	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	18% PEG4000, 0.23M lithium-sulfate, 0.1M phosphate-citrate