6XSR

Crystal structure of GluA2 AMPA receptor in complex with trans-4-butylcyclohexane carboxylic acid (4-BCCA) inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	92.790, 110.400, 600.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.912 - 4.250
R-factor	0.2622
Rwork	0.260
R-free	0.29590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kg2
RMSD bond length	0.002
RMSD bond angle	0.558
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.912	4.520
High resolution limit [Å]	4.250	4.250
Rmerge	0.450
Number of reflections	83453	14923
<I/σ(I)>	9.35
Completeness [%]	99.6
Redundancy	9.82
CC(1/2)	0.990	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	8-11% (w/v) PEG 8,000, 0.2 M magnesium acetate and 0.1 M sodium cacodylate (pH 6.3-6.7) or 11-14% (w/v) PEG 6,000, 0.1 M ammonium phosphate and 0.1 M TRIS (pH 7.9-8.0)