5U41

Human PPARdelta ligand-binding domain in complexed with specific agonist 16

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	2006-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.449, 95.124, 95.795
Unit cell angles	90.00, 96.44, 90.00

Refinement procedure

Resolution	47.595 - 1.900
R-factor	0.2117
Rwork	0.210
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.006
RMSD bond angle	0.720
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.130	1.930
High resolution limit [Å]	1.570	1.900
Number of reflections	47329
<I/σ(I)>	10.7	0.8
Completeness [%]	85.5	35.9
Redundancy	3.2	1.6
CC(1/2)	0.984	0.547

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