5U46

Human PPARdelta ligand-binding domain in complexed with GW501516

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.860, 94.140, 96.470
Unit cell angles	90.00, 96.77, 90.00

Refinement procedure

Resolution	47.899 - 2.000
R-factor	0.1756
Rwork	0.174
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.003
RMSD bond angle	0.838
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9pre_1665)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	38083
<I/σ(I)>	10.9	1.7
Completeness [%]	79.6	23.7
Redundancy	3.8	1.8
CC(1/2)	0.996	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	Bis-tris propane, potassium chloride, PEG 8000, 1,2-propandiol, EDTA, DTT