5Z6S

Crystal structure of the PPARgamma-LBD complexed with compound DS-6930

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2007-12-17
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.657, 54.154, 66.557
Unit cell angles	90.00, 106.82, 90.00

Refinement procedure

Resolution	19.770 - 1.800
R-factor	0.199
Rwork	0.199
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9t
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNX
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	26418	2557
<I/σ(I)>	36.3
Completeness [%]	95.2	93.2
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	PEG 4000, sodium thiocyanate, Tris-hydrochloride