5U42

Human PPARdelta ligand-binding domain in complexed with specific agonist 11

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	2006-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.660, 95.130, 96.520
Unit cell angles	90.00, 98.04, 90.00

Refinement procedure

Resolution	47.786 - 1.700
R-factor	0.1753
Rwork	0.174
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.012
RMSD bond angle	1.403
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9pre_1665)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.130	1.600
High resolution limit [Å]	1.570	1.570
Number of reflections	91316
<I/σ(I)>	61.8
Completeness [%]	92.5	77.7
Redundancy	77.7	1.5
CC(1/2)	0.995	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