5U40

Human PPARdelta ligand-binding domain in complexed with specific agonist 15

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	2006-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.340, 94.750, 95.790
Unit cell angles	90.00, 97.11, 90.00

Refinement procedure

Resolution	95.050 - 2.000
R-factor	0.1942
Rwork	0.193
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.003
RMSD bond angle	0.736
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9pre_1665)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.050	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	43342
<I/σ(I)>	30.9	1
Completeness [%]	91.9	61.5
Redundancy	3	1.9
CC(1/2)	0.975	0.278

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