6FAZ

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 2
Unit cell lengths	97.206, 121.458, 47.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.164 - 1.400
R-factor	0.1379
Rwork	0.136
R-free	0.16750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n07
RMSD bond length	0.007
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.603	48.603	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.033	0.643
Rmeas	0.057	0.034	0.668
Rpim	0.015	0.010	0.181
Total number of observations	1470878	47936	213713
Number of reflections	110666	3763	15969
<I/σ(I)>	19.6	52.5	3.8
Completeness [%]	100.0	98.8	100
Redundancy	13.3	12.7	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	15% PEG4000, 0.3 M ammonium sulfate, 0.1 M phosphate-citrate