4YMA

Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109

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	2012-12-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	48.880, 65.250, 91.550
Unit cell angles	90.00, 92.36, 90.00

Refinement procedure

Resolution	36.389 - 1.895
R-factor	0.1733
Rwork	0.170
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tza
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.472	36.389	2.000
High resolution limit [Å]	1.895	5.990	1.890
Rmerge		0.041	0.372
Rmeas	0.095
Rpim	0.047	0.024	0.211
Total number of observations	190896	6100	27125
Number of reflections	45862
<I/σ(I)>	11.3	21.4	3.6
Completeness [%]	100.0	99.5	100
Redundancy	4.2	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	PEG4000, lithium sulfate, phosphate citrate