5UGM

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Edaglitazone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	103
Detector technology	PIXEL
Collection date	2016-10-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91841
Spacegroup name	I 4
Unit cell lengths	128.740, 128.740, 93.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.710 - 2.100
R-factor	0.182
Rwork	0.180
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.711	2.210
High resolution limit [Å]	2.100	2.100
Rmerge		0.590
Rpim		0.308
Number of reflections	44346	6482
<I/σ(I)>	2.48
Completeness [%]	99.3	99.9
Redundancy	4.6
CC(1/2)		0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.8M SODIUM CITRATE, 100mM MOPS, PH 7.6