4IY6

Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and ME-CX516 at 1.72 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]	99
Detector technology	CCD
Collection date	2011-02-10
Detector	MAR CCD 165 mm
Wavelength(s)	1.03874
Spacegroup name	P 21 21 2
Unit cell lengths	64.330, 101.040, 47.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.680 - 1.720
R-factor	0.1363
Rwork	0.135
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tdj
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.680	23.680	1.810
High resolution limit [Å]	1.720	5.430	1.720
Rmerge	0.053	0.030	0.126
Number of reflections	33234
<I/σ(I)>	19.1	19.5	5.6
Completeness [%]	98.4	97.4	89.8
Redundancy	4.7	4.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	15.2% PEG 4000, 0.3M lithium sulfate, 0.1M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K