3TKD

Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and cyclothiazide at 1.45 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	2008-09-10
Detector	MAR CCD 165 mm
Wavelength(s)	1.038
Spacegroup name	P 21 21 2
Unit cell lengths	98.197, 120.865, 47.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.261 - 1.450
R-factor	0.148
Rwork	0.146
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lbc
RMSD bond length	0.011
RMSD bond angle	1.305
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.900	26.900	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge	0.064	0.038	0.350
Number of reflections	100251
<I/σ(I)>	7.6	14.6	1.9
Completeness [%]	99.8	96.1	100
Redundancy	6.7	6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	20% PEG4000, 0.3M ammonium sulfate, 0.1M phosphate-citrate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K