3BBR

Crystal structure of the iGluR2 ligand binding core (S1S2J-N775S) in complex with a dimeric positive modulator as well as glutamate at 2.25 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	110
Detector technology	CCD
Collection date	2007-03-13
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 2
Unit cell lengths	99.080, 121.780, 47.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.428 - 2.250
Rwork	0.169
R-free	0.23100
Starting model (for MR)	1lb8
RMSD bond length	0.005
RMSD bond angle	0.698
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	122.169	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.090	0.263
Total number of observations		25558
Number of reflections	27875
<I/σ(I)>	6.7	2.3
Completeness [%]	99.6	99.4
Redundancy	6.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	280	0.3M ammonium sulfate, 0.1M sodium acetate, 25% PEG 4000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K