5U45

Human PPARdelta ligand-binding domain in complexed with specific agonist 14

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	2006-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.530, 95.260, 96.440
Unit cell angles	90.00, 97.56, 90.00

Refinement procedure

Resolution	47.801 - 1.950
R-factor	0.1921
Rwork	0.190
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.004
RMSD bond angle	0.874
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9pre_1665)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.260	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	50352
<I/σ(I)>	7.4	1
Completeness [%]	97.6	70.7
Redundancy	3.8	1.4
CC(1/2)	0.994	0.497

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