5U3S

Human PPARdelta ligand-binding domain in complexed with specific agonist 3

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	39.550, 94.190, 96.320
Unit cell angles	90.00, 98.08, 90.00

Refinement procedure

Resolution	47.682 - 2.000
R-factor	0.1914
Rwork	0.190
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.012
RMSD bond angle	1.214
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]	67.010	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	59151
<I/σ(I)>	10.6	1.1
Completeness [%]	99.2	99.5
Redundancy	10.6	2.4
CC(1/2)	0.994	0.424

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