4U4S

Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 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	2011-12-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	97.830, 121.370, 47.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.014 - 1.900
R-factor	0.161
Rwork	0.159
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lb8 mol A
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.870	34.014	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.041	0.308
Rmeas	0.100
Rpim	0.045	0.022	0.151
Total number of observations	210081	6508	30204
Number of reflections	45062
<I/σ(I)>	11.1	18.7	4.7
Completeness [%]	99.7	94.7	100
Redundancy	4.7	4.4	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	280	22% PEG4000, 0.2 M ammoniumsulfate, 0.1 M phosphate-citrate.