6Q60

Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 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	2018-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979988
Spacegroup name	P 21 21 2
Unit cell lengths	98.344, 122.254, 47.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.155 - 1.550
R-factor	0.1494
Rwork	0.148
R-free	0.17520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m5b
RMSD bond length	0.009
RMSD bond angle	1.040
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]	44.150	44.155	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.051	0.368
Rmeas	0.094	0.056	0.400
Rpim	0.036	0.023	0.155
Number of reflections	83759	2879	12103
<I/σ(I)>	10	8.9	1.6
Completeness [%]	100.0	99.5	100
Redundancy	6.8	6.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	10% PEG4000, 0.1 M lithium sulfate, 0.1 M phosphate-citrate, pH 4.5