4IY5

Crystal structure of the glua2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and CX516 at 2.0 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	2010-03-05
Detector	MAR CCD 165 mm
Wavelength(s)	1.03796
Spacegroup name	P 21 21 2
Unit cell lengths	99.080, 121.690, 47.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.432 - 2.000
R-factor	0.1553
Rwork	0.153
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tdj
RMSD bond length	0.007
RMSD bond angle	1.038
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]	26.432	26.430	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.106	0.065	0.313
Number of reflections	39394
<I/σ(I)>	10.3	17.7	4.5
Completeness [%]	99.8	95.9	100
Redundancy	5.2	4.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	24.4% PEG 4000, 0.3M lithium sulfate, 0.1M phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K