3GZ9

Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.541
Spacegroup name	P 21 21 2
Unit cell lengths	94.577, 92.129, 39.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.490 - 2.000
R-factor	0.192
Rwork	0.189
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	2.202
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.577	30.330	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.090	0.050	0.370
Total number of observations		4134	18260
Number of reflections	24127
<I/σ(I)>	6.225	9.8	2
Completeness [%]	99.8	98.2	99.5
Redundancy	5.6	4.8	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	15% PEG 8000, 0.2 M KCl, 1 mM EDTA, 25% propanediol, 0.5% heptanetriol, 1 mM DTT, 0.1 M Hepes, pH 7.5, vapor diffusion, temperature 289K