4IGT

Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist ZA302 at 1.24A 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	2011-09-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	59.613, 95.641, 48.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.821 - 1.240
R-factor	0.1374
Rwork	0.137
R-free	0.15510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m5e
RMSD bond length	0.008
RMSD bond angle	1.290
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.640	50.643	1.310
High resolution limit [Å]	1.240	3.920	1.240
Rmerge	0.070	0.048	0.309
Rmeas		0.052	0.342
Rpim		0.017	0.145
Total number of observations		26394	58660
Number of reflections	78559
<I/σ(I)>	17.8	40.5	6.7
Completeness [%]	99.0	99.9	97.7
Redundancy	6.1	9.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	15.2% PEG 4000, 0.1M Li2SO4, 0.1M phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K