2J14

3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	110
Spacegroup name	P 1 21 1
Unit cell lengths	39.376, 93.390, 92.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.700 - 2.800
R-factor	0.224
Rwork	0.224
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gwx
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.150	0.620
Number of reflections	16248
<I/σ(I)>	5.3
Completeness [%]	97.6	96.6
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1