3H0A

Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	179.258, 53.825, 67.108
Unit cell angles	90.00, 107.74, 90.00

Refinement procedure

Resolution	28.460 - 2.100
R-factor	0.25096
Rwork	0.246
R-free	0.34165
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.929
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.436	28.830	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.081	0.031	0.355
Number of reflections	35062
<I/σ(I)>	7.804	16.4	2.1
Completeness [%]	97.7	98.1	95.9
Redundancy	3.6	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	25% PEG 2000 monomethyl ether, 0.3 M sodium acetate, 0.1 M Hepes 7.5, vapor diffusion, temperature 289K