4G8M

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist CBG-IV at 2.05A 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	2011-06-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	98.367, 120.926, 47.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.440 - 2.050
R-factor	0.1825
Rwork	0.180
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NNP molA
RMSD bond length	0.007
RMSD bond angle	1.001
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.440	29.440	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge	0.090	0.028	0.406
Number of reflections	36483
<I/σ(I)>	7.5	21	1.9
Completeness [%]	99.5	96.6	99.3
Redundancy	5.5	5.1	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	24.4% PEG4000, 0.3M lithium sulfate, 0.1M phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K