5U44

Human PPARdelta ligand-binding domain in complexed with specific agonist 13

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	2006-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.570, 95.410, 96.180
Unit cell angles	90.00, 97.65, 90.00

Refinement procedure

Resolution	95.320 - 2.150
R-factor	0.2018
Rwork	0.199
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwz
RMSD bond length	0.002
RMSD bond angle	0.532
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]	95.320	2.200
High resolution limit [Å]	2.150	2.150
Number of reflections	31224
<I/σ(I)>	21.4	0.6
Completeness [%]	81.0	44.8
Redundancy	3	1.2
CC(1/2)	0.983	0.409

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