8R32

Crystal structure of the GluK2 ligand-binding domain in complex with L-glutamate and BPAM344 at 1.60 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	2022-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	98.197, 100.746, 48.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 1.600
R-factor	0.1538
Rwork	0.152
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xxr
RMSD bond length	0.009
RMSD bond angle	1.032
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.160	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.112	0.789
Rmeas	0.117	0.819
Rpim	0.031	0.218
Total number of observations	869168	41810
Number of reflections	63898	3075
<I/σ(I)>	16.3	3.9
Completeness [%]	100.0
Redundancy	13.6	13.6
CC(1/2)	0.999	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	25% PEG4000, 9% propan-2-ol, 0.1 mM sodium acetate, pH 5.5