8BST

Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate at 2.7A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	69.412, 101.597, 83.407
Unit cell angles	90.00, 111.99, 90.00

Refinement procedure

Resolution	39.880 - 2.700
R-factor	0.2053
Rwork	0.204
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.460	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.130	0.804
Rmeas	0.149	0.917
Rpim	0.072	0.439
Total number of observations	126006	16674
Number of reflections	29504	3891
<I/σ(I)>	8.6	1.9
Completeness [%]	99.7
Redundancy	4.3	4.3
CC(1/2)	0.980	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG4000, Lithium sulfate, zinc acetate, Tris buffer pH 8.5