6GL4

Structure of GluA2o ligand-binding domain (S1S2J) in complex with glutamate and sodium bromide at 1.95 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	2015-06-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91949
Spacegroup name	P 1 2 1
Unit cell lengths	46.717, 47.715, 116.713
Unit cell angles	90.00, 93.79, 90.00

Refinement procedure

Resolution	46.615 - 1.948
R-factor	0.1648
Rwork	0.163
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tdj
RMSD bond length	0.005
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	116.457	46.615	2.060
High resolution limit [Å]	1.948	6.170	1.950
Rmerge		0.040	0.468
Rmeas	0.096	0.044	0.502
Rpim	0.035	0.016	0.182
Total number of observations	286755	9067	41322
Number of reflections	37848	1276	5450
<I/σ(I)>	16.2	35.2	4.4
Completeness [%]	100.0	99.8	100
Redundancy	7.6	7.1	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	25% PEG4000, 0.2M sodium sulfate, 0.1M sodium acetate pH 5.5