5MFV

Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-521 at 2.18 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	2014-04-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97879
Spacegroup name	P 41 21 2
Unit cell lengths	68.777, 68.777, 232.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.606 - 2.181
R-factor	0.1689
Rwork	0.167
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0x
RMSD bond length	0.008
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.606	47.606	2.300
High resolution limit [Å]	2.181	6.900	2.181
Rmerge		0.050	0.152
Number of reflections	29453
<I/σ(I)>	14.4	10.8	4.6
Completeness [%]	97.8	97.3	87.6
Redundancy	5.8	5.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	16 % PEG4000, 0.2 M lithium-sulfate, 0.1 M phosphate-citrate pH 4.5