5MFW

Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-121 at 2.10 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	2012-06-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	68.644, 68.644, 234.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.631 - 2.100
R-factor	0.1657
Rwork	0.163
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0x
RMSD bond length	0.006
RMSD bond angle	1.008
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.631	29.631	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.046	0.372
Number of reflections	33935
<I/σ(I)>	18	10.1	2
Completeness [%]	99.9	98.8	99.6
Redundancy	8.2	7.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	20 % PEG4000, 0.3 M lithium-sulfate, 0.1 M sodium-acetate pH 5.5