8R36

Crystal structure of the Gluk1 ligand-binding domain in complex with kainate and BPAM538 at 1.90 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	2021-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	71.485, 71.485, 232.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.370 - 1.900
R-factor	0.1659
Rwork	0.164
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0x
RMSD bond length	0.009
RMSD bond angle	0.808
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.087	0.457
Rmeas	0.089	0.465
Rpim	0.017	0.089
Total number of observations	1291136	186128
Number of reflections	48841	6995
<I/σ(I)>	23.4	7.7
Completeness [%]	100.0
Redundancy	26.4	26.6
CC(1/2)	0.999	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	15.2% PEG4000, 0.3 M lithium sulfate, and 0.1 M sodium acetate pH 5.5