2XXH

Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Spacegroup name	P 21 21 2
Unit cell lengths	114.374, 163.583, 47.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.19487
Rwork	0.194
R-free	0.21757
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.344
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.070	0.390
Number of reflections	134500
<I/σ(I)>	11.4	2.6
Completeness [%]	94.8	96.5
Redundancy	2.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1