5U3Z

Human PPARdelta ligand-binding domain in complexed with specific agonist 10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.430, 94.750, 96.050
Unit cell angles	90.00, 97.68, 90.00

Refinement procedure

Resolution	42.530 - 1.720
R-factor	0.1735
Rwork	0.172
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.011
RMSD bond angle	1.397
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]	47.590	1.750
High resolution limit [Å]	1.720	1.720
Number of reflections	70808
<I/σ(I)>	9.8	0.8
Completeness [%]	95.7	88.4
Redundancy	5.8	2.7
CC(1/2)	0.997	0.390

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