5U3T

Human PPARdelta ligand-binding domain in complexed with specific agonist 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.640, 94.690, 96.430
Unit cell angles	90.00, 97.99, 90.00

Refinement procedure

Resolution	47.747 - 1.700
R-factor	0.1816
Rwork	0.180
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.012
RMSD bond angle	1.448
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9pre_1665)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.690	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	72951
<I/σ(I)>	25.3	4.3
Completeness [%]	94.2	48.9
Redundancy	2.6	1.2
CC(1/2)	0.996	0.626

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