5NG9

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist CIP-AS at 1.15 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	2015-04-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	62.218, 88.140, 47.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.980 - 1.150
R-factor	0.11
Rwork	0.109
R-free	0.13300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m5b
RMSD bond length	0.009
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.960	47.958	1.210
High resolution limit [Å]	1.150	3.640	1.150
Rmerge		0.022	0.229
Rmeas	0.045	0.024	0.259
Rpim	0.019	0.010	0.119
Number of reflections	93257
<I/σ(I)>	22.4	27.5	3.4
Completeness [%]	98.9	98.3	92.5
Redundancy	5.8	5.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	15.2% PEG4000, 0.1 M lithium sulfate, 0.1 M phosphate-citrate buffer