3ADX

Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233

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	2008-10-13
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	93.051, 61.742, 118.480
Unit cell angles	90.00, 102.85, 90.00

Refinement procedure

Resolution	27.700 - 1.950
Rwork	0.246
R-free	0.27500
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	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.034	0.216
Number of reflections	46681
<I/σ(I)>	20.6
Completeness [%]	97.2
Redundancy	3.7	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