3ADW

Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-25
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	93.034, 61.181, 118.475
Unit cell angles	90.00, 102.84, 90.00

Refinement procedure

Resolution	29.000 - 2.070
Rwork	0.230
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.036	0.182
Number of reflections	38750
<I/σ(I)>	18.9
Completeness [%]	97.3
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES, 0.8M Sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K