5JI0

PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	93
Detector technology	CCD
Collection date	2015-08-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	53.880, 66.527, 165.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.200 - 1.980
R-factor	0.19481
Rwork	0.192
R-free	0.24600
RMSD bond length	0.017
RMSD bond angle	1.921
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.200
High resolution limit [Å]	1.980
Number of reflections	42545
<I/σ(I)>	21.6
Completeness [%]	100.0
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	Crystals grew in the dark at room temperature from 0.5 + 0.5 uL sitting drops equilibrated over a reservoir containing 20-24% PEG3350 and 0.02M Na Citrate