4ISU

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (2R)-IKM-159 at 2.3A 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	2011-02-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	62.514, 88.773, 194.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.150 - 2.300
R-factor	0.1891
Rwork	0.185
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1N0T molA
RMSD bond length	0.007
RMSD bond angle	1.044
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.235	28.775	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.027	0.127
Total number of observations		6205	19252
Number of reflections	48097
<I/σ(I)>	14.5	17	5.4
Completeness [%]	98.3	94.9	93.2
Redundancy	3.9	3.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	20% PEG4000, 0.1M Lithium sulfate, 0.1M phosphate-citrate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K