5U3R

Human PPARdelta ligand-binding domain in complexed with specific agonist 2

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	2006-05-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.600, 94.580, 96.220
Unit cell angles	90.00, 97.88, 90.00

Refinement procedure

Resolution	47.656 - 1.950
R-factor	0.1896
Rwork	0.188
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.014
RMSD bond angle	1.356
Data reduction software	HKL-2000
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]	95.310	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	51078
<I/σ(I)>	7.5
Completeness [%]	99.7	99.9
Redundancy	3	3.1
CC(1/2)	0.994	0.474

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