5HYK

Crystal structure of the complex PPARalpha/AL26-29

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-02
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 41 21 2
Unit cell lengths	63.650, 63.650, 126.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.622 - 1.830
R-factor	0.2137
Rwork	0.211
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vi8
RMSD bond length	0.007
RMSD bond angle	1.095
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.622	1.870
High resolution limit [Å]	1.830	1.830
Rmerge	0.071	0.518
Number of reflections	23665
<I/σ(I)>	22.7	5
Completeness [%]	100.0	100
Redundancy	13.3	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	PEG 3350 20%, 0,2 M Mg acetate