5O9A

Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate and BPAM121 at 1.78 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	2015-02-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	47.308, 98.408, 121.787
Unit cell angles	90.00, 90.53, 90.00

Refinement procedure

Resolution	49.204 - 1.780
R-factor	0.1547
Rwork	0.153
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tkd
RMSD bond length	0.005
RMSD bond angle	0.786
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.782	49.204	1.880
High resolution limit [Å]	1.780	5.630	1.780
Rmerge		0.026	0.377
Rmeas	0.074	0.031	0.445
Rpim	0.038	0.016	0.233
Total number of observations	395853	12653	56042
Number of reflections	106755	3481	15582
<I/σ(I)>	14.7	34	3.5
Completeness [%]	100.0	99.8	100
Redundancy	3.7	3.6	3.6

Crystallization Conditions

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