5MFQ

Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-344 at 1.90 A 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	2013-02-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97916
Spacegroup name	P 41 21 2
Unit cell lengths	71.013, 71.013, 234.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.429 - 1.900
R-factor	0.1571
Rwork	0.155
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0x
RMSD bond length	0.006
RMSD bond angle	1.053
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.429	29.429	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.036	0.316
Number of reflections	48600
<I/σ(I)>	18.6	15.7	2.2
Completeness [%]	100.0	98.5	100
Redundancy	8.1	7	8.2

Crystallization Conditions

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