4IGR

Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist ZA302

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	2012-03-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 41 2 2
Unit cell lengths	68.180, 68.180, 126.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.866 - 2.650
R-factor	0.2014
Rwork	0.198
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s9e
RMSD bond length	0.017
RMSD bond angle	1.166
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.173	42.173	2.790
High resolution limit [Å]	2.650	8.380	2.650
Rmerge		0.054	0.390
Rmeas		0.062	0.442
Rpim		0.029	0.201
Total number of observations		1270	5987
Number of reflections	9062
<I/σ(I)>	9.5	16.2	3.7
Completeness [%]	98.7	92.1	99.9
Redundancy	4.6	3.9	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	280	1.8M sodium/potassium phosphate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 280K