3VN2

Crystal Structure of PPARgamma complexed with Telmisartan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	90
Detector technology	CCD
Collection date	2010-10-25
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	132.852, 53.499, 53.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.930 - 2.180
R-factor	0.25272
Rwork	0.250
R-free	0.30851
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.180	2.180
Rmerge		0.386
Number of reflections	18784
Completeness [%]	94.3	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M TRIS-HCL, 0.8M SODIUM CITRATE TRIBASIC DIHYDRATE, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K