3TDJ

Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-97 at 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	99
Detector technology	CCD
Collection date	2009-09-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.908
Spacegroup name	P 21 21 2
Unit cell lengths	98.860, 121.300, 47.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.217 - 1.950
R-factor	0.1721
Rwork	0.170
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h6t
RMSD bond length	0.007
RMSD bond angle	1.015
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.260	24.260	2.060
High resolution limit [Å]	1.950	6.170	1.950
Rmerge	0.109	0.061	0.377
Number of reflections	42368
<I/σ(I)>	13.2	9.3	1.9
Completeness [%]	99.9	96.8	99.9
Redundancy	8	7.2	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	15.2% PEG4000, 0.3 M lithium sulfate and 0.1 M phosphate-citrate., pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K